N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide

C58H64FN9O4 — CID 123890895

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Nc3cccnc3)cc3c2c(C)cn3C(C)CCc2cc(C)[nH]c(=O)c2CNC(=O)c2cc(N3CCC(c4ccc(F)cc4)CC3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C58H64FN9O4/c1-33(2)67-31-35(4)54-48(26-46(27-52(54)67)66-20-17-41(18-21-66)40-13-15-43(59)16-14-40)56(70)62-30-50-42(23-38(7)64-58(50)72)12-11-39(8)68-32-36(5)53-47(24-45(25-51(53)68)65-44-10-9-19-60-28-44)55(69)61-29-49-34(3)22-37(6)63-57(49)71/h9-10,13-16,19,22-28,31-33,39,41,65H,11-12,17-18,20-21,29-30H2,1-8H3,(H,61,69)(H,62,70)(H,63,71)(H,64,72)
InChIKeyLUBPJWLIXVHBQN-UHFFFAOYSA-N
MW970.21 g/mol
LogP10.81
Rot. Bonds15

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide (PubChem CID 123890895) has the molecular formula C58H64FN9O4 and a molecular weight of 970.21 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide
PubChem CID123890895
Molecular FormulaC58H64FN9O4
Molecular Weight970.21 g/mol
Exact Mass969.51
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Nc3cccnc3)cc3c2c(C)cn3C(C)CCc2cc(C)[nH]c(=O)c2CNC(=O)c2cc(N3CCC(c4ccc(F)cc4)CC3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C58H64FN9O4/c1-33(2)67-31-35(4)54-48(26-46(27-52(54)67)66-20-17-41(18-21-66)40-13-15-43(59)16-14-40)56(70)62-30-50-42(23-38(7)64-58(50)72)12-11-39(8)68-32-36(5)53-47(24-45(25-51(53)68)65-44-10-9-19-60-28-44)55(69)61-29-49-34(3)22-37(6)63-57(49)71/h9-10,13-16,19,22-28,31-33,39,41,65H,11-12,17-18,20-21,29-30H2,1-8H3,(H,61,69)(H,62,70)(H,63,71)(H,64,72)
InChIKeyLUBPJWLIXVHBQN-UHFFFAOYSA-N
XLogP10.81
TPSA161.94 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.21
LogP ≤ 510.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide with MolForge

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Related Compounds

2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one
CID 73673026
4-[4-[2,4-Bis(Fluoranyl)phenyl]piperazin-1-Yl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 76936779
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-4-(4-(3,4-Difluorophenyl)piperazin-1-Yl)-2-Fluorobenzamide
CID 76936801
Nalpha-(2-Fluoro-4-{4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl}benzoyl)-N-Pyridin-4-Yl-D-Tryptophanamide
CID 77068208
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(4-piperazin-1-ylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 68209992
(2,6-Dimethylphenyl)-[4-methyl-4-[4-[(1-methylindol-7-yl)amino]-1-piperidyl]-1-piperidyl]methanone
CID 3008911
4-fluoro-N-[3-[1-[6-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]hexyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881617
4-fluoro-N-[3-[1-[9-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]nonyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881618
4-fluoro-N-[3-[1-[7-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]heptyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882193
2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 90675378
(2,6-Dimethylphenyl)-[4-methyl-4-[4-[(1-methylindol-6-yl)amino]-1-piperidyl]-1-piperidyl]methanone
CID 3008912
1H-indol-4-yl-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone
CID 3008925

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide (CID 123890895) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(Nc3cccnc3)cc3c2c(C)cn3C(C)CCc2cc(C)[nH]c(=O)c2CNC(=O)c2cc(N3CCC(c4ccc(F)cc4)CC3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide?
The InChIKey is LUBPJWLIXVHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64FN9O4/c1-33(2)67-31-35(4)54-48(26-46(27-52(54)67)66-20-17-41(18-21-66)40-13-15-43(59)16-14-40)56(70)62-30-50-42(23-38(7)64-58(50)72)12-11-39(8)68-32-36(5)53-47(24-45(25-51(53)68)65-44-10-9-19-60-28-44)55(69)61-29-49-34(3)22-37(6)63-57(49)71/h9-10,13-16,19,22-28,31-33,39,41,65H,11-12,17-18,20-21,29-30H2,1-8H3,(H,61,69)(H,62,70)(H,63,71)(H,64,72).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide has a molecular weight of 970.21 g/mol, XLogP of 10.81, 15 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide is sourced from PubChem (CID 123890895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).