4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)

C154H216Cl6F12N30O30S6 — CID 158169621

IUPAC4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)
SMILESCCC(CC)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CCC(CC)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CCC(Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CC[C@@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CC[C@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/4C26H36ClF2N5O3.2C25H36ClF2N5O3.6O2S/c1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17;3*1-4-18(16-6-7-16)32-20-12-19(37-25(28)29)17(13-30-20)23-21(27)22(33-34(23)5-2)24(35)31-14-26(36)10-8-15(3)9-11-26;2*1-5-16(6-2)31-19-12-18(36-24(27)28)17(13-29-19)22-20(26)21(32-33(22)7-3)23(34)30-14-25(35)10-8-15(4)9-11-25;6*1-3-2/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);3*12-13,15-16,18,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);2*12-13,15-16,24,35H,5-11,14H2,1-4H3,(H,29,31)(H,30,34);;;;;;/t;2*15?,18-,26?;;;;;;;;;/m.10........./s1
InChIKeyFXHCLZOECIBUJJ-USISBVFSSA-N
MW3600.70 g/mol
LogP28.93
Rot. Bonds66

About 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)

4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide) (PubChem CID 158169621) has the molecular formula C154H216Cl6F12N30O30S6 and a molecular weight of 3600.70 g/mol. Its IUPAC name is 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)
PubChem CID158169621
Molecular FormulaC154H216Cl6F12N30O30S6
Molecular Weight3600.70 g/mol
Exact Mass3595.26
IUPAC Name4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)
SMILESCCC(CC)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CCC(CC)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CCC(Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CC[C@@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CC[C@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/4C26H36ClF2N5O3.2C25H36ClF2N5O3.6O2S/c1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17;3*1-4-18(16-6-7-16)32-20-12-19(37-25(28)29)17(13-30-20)23-21(27)22(33-34(23)5-2)24(35)31-14-26(36)10-8-15(3)9-11-26;2*1-5-16(6-2)31-19-12-18(36-24(27)28)17(13-29-19)22-20(26)21(32-33(22)7-3)23(34)30-14-25(35)10-8-15(4)9-11-25;6*1-3-2/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);3*12-13,15-16,18,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);2*12-13,15-16,24,35H,5-11,14H2,1-4H3,(H,29,31)(H,30,34);;;;;;/t;2*15?,18-,26?;;;;;;;;;/m.10........./s1
InChIKeyFXHCLZOECIBUJJ-USISBVFSSA-N
XLogP28.93
TPSA812.64 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds66
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003600.70
LogP ≤ 528.93
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Analyze 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide) (CID 158169621) is 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide) is CCC(CC)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CCC(CC)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CCC(Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CC[C@@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CC[C@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1)C1CC1.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.
What is the InChIKey of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)?
The InChIKey is FXHCLZOECIBUJJ-USISBVFSSA-N. The full InChI is InChI=1S/4C26H36ClF2N5O3.2C25H36ClF2N5O3.6O2S/c1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17;3*1-4-18(16-6-7-16)32-20-12-19(37-25(28)29)17(13-30-20)23-21(27)22(33-34(23)5-2)24(35)31-14-26(36)10-8-15(3)9-11-26;2*1-5-16(6-2)31-19-12-18(36-24(27)28)17(13-29-19)22-20(26)21(32-33(22)7-3)23(34)30-14-25(35)10-8-15(4)9-11-25;6*1-3-2/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);3*12-13,15-16,18,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);2*12-13,15-16,24,35H,5-11,14H2,1-4H3,(H,29,31)(H,30,34);;;;;;/t;2*15?,18-,26?;;;;;;;;;/m.10........./s1.
What are the key properties of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide)?
4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide) has a molecular weight of 3600.70 g/mol, XLogP of 28.93, 66 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;bis(4-chloro-5-[4-(difluoromethoxy)-6-(pentan-3-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide);hexakis(sulfur dioxide) is sourced from PubChem (CID 158169621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).