bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C169H151Cl5F19N37O25S — CID 158349981

IUPACbis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCC[C@@H](O)CO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCC[C@H](O)CO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1
InChIInChI=1S/2C22H18ClF2N5O3.C22H18F3N5O3.C21H19ClF2N4O3.C21H19F3N4O3.C21H19F3N4O2S.2C20H20ClF2N5O4/c3*23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30;3*22-21(23,24)31-16-5-3-14(4-6-16)27-20(30)13-10-17(18-2-1-8-25-18)19(26-11-13)28-9-7-15(29)12-28;2*21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-6-8-26-28-17)18(25-10-12)24-7-5-14(30)11-29/h3*1-6,9,11,16,28,31H,7-8,12H2,(H,29,32);3*1-6,8,10-11,15,25,29H,7,9,12H2,(H,27,30);2*1-4,6,8-10,14,29-30H,5,7,11H2,(H,24,25)(H,26,28)(H,27,31)/t3*16-;3*15-;2*14-/m11111110/s1
InChIKeyGSEPUVQBLOROFP-HDDAMHLWSA-N
MW3670.59 g/mol
LogP30.02
Rot. Bonds53

About bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 158349981) has the molecular formula C169H151Cl5F19N37O25S and a molecular weight of 3670.59 g/mol. Its IUPAC name is bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Namebis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
PubChem CID158349981
Molecular FormulaC169H151Cl5F19N37O25S
Molecular Weight3670.59 g/mol
Exact Mass3665.95
IUPAC Namebis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCC[C@@H](O)CO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCC[C@H](O)CO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1
InChIInChI=1S/2C22H18ClF2N5O3.C22H18F3N5O3.C21H19ClF2N4O3.C21H19F3N4O3.C21H19F3N4O2S.2C20H20ClF2N5O4/c3*23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30;3*22-21(23,24)31-16-5-3-14(4-6-16)27-20(30)13-10-17(18-2-1-8-25-18)19(26-11-13)28-9-7-15(29)12-28;2*21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-6-8-26-28-17)18(25-10-12)24-7-5-14(30)11-29/h3*1-6,9,11,16,28,31H,7-8,12H2,(H,29,32);3*1-6,8,10-11,15,25,29H,7,9,12H2,(H,27,30);2*1-4,6,8-10,14,29-30H,5,7,11H2,(H,24,25)(H,26,28)(H,27,31)/t3*16-;3*15-;2*14-/m11111110/s1
InChIKeyGSEPUVQBLOROFP-HDDAMHLWSA-N
XLogP30.02
TPSA869.80 Ų
H-Bond Donors28
H-Bond Acceptors47
Rotatable Bonds53
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003670.59
LogP ≤ 530.02
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1047

Analyze bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 158349981) is bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCC[C@@H](O)CO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCC[C@H](O)CO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc[nH]2)c1.
What is the InChIKey of bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GSEPUVQBLOROFP-HDDAMHLWSA-N. The full InChI is InChI=1S/2C22H18ClF2N5O3.C22H18F3N5O3.C21H19ClF2N4O3.C21H19F3N4O3.C21H19F3N4O2S.2C20H20ClF2N5O4/c3*23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30;3*22-21(23,24)31-16-5-3-14(4-6-16)27-20(30)13-10-17(18-2-1-8-25-18)19(26-11-13)28-9-7-15(29)12-28;2*21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-6-8-26-28-17)18(25-10-12)24-7-5-14(30)11-29/h3*1-6,9,11,16,28,31H,7-8,12H2,(H,29,32);3*1-6,8,10-11,15,25,29H,7,9,12H2,(H,27,30);2*1-4,6,8-10,14,29-30H,5,7,11H2,(H,24,25)(H,26,28)(H,27,31)/t3*16-;3*15-;2*14-/m11111110/s1.
What are the key properties of bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 3670.59 g/mol, XLogP of 30.02, 53 rotatable bonds, 28 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3,4-dihydroxybutyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrrol-2-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158349981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).