6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide

C32H35N7O3 — CID 126485109

IUPAC6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCCc1cc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ncc1N(C)c1cc2c(ncn2C)c(C(N)=O)n1
InChIInChI=1S/C32H35N7O3/c1-6-23-15-28(34-17-27(23)38(3)29-16-26-30(35-20-37(26)2)31(36-29)32(33)40)39(18-21-7-11-24(41-4)12-8-21)19-22-9-13-25(42-5)14-10-22/h7-17,20H,6,18-19H2,1-5H3,(H2,33,40)
InChIKeyZELJLKXEUVWPEX-UHFFFAOYSA-N
MW565.68 g/mol
LogP5.02
Rot. Bonds11

About 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide

6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 126485109) has the molecular formula C32H35N7O3 and a molecular weight of 565.68 g/mol. Its IUPAC name is 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID126485109
Molecular FormulaC32H35N7O3
Molecular Weight565.68 g/mol
Exact Mass565.28
IUPAC Name6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCCc1cc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ncc1N(C)c1cc2c(ncn2C)c(C(N)=O)n1
InChIInChI=1S/C32H35N7O3/c1-6-23-15-28(34-17-27(23)38(3)29-16-26-30(35-20-37(26)2)31(36-29)32(33)40)39(18-21-7-11-24(41-4)12-8-21)19-22-9-13-25(42-5)14-10-22/h7-17,20H,6,18-19H2,1-5H3,(H2,33,40)
InChIKeyZELJLKXEUVWPEX-UHFFFAOYSA-N
XLogP5.02
TPSA111.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile
CID 126485285
cis-(1R,2R)-N-[6-(5-cyano-2-ethyl-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234491
5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-6-chloro-4-ethylpyridine-2-carbonitrile
CID 126485236
cis-(1R,2R)-N-[6-(5-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234584
(1-methylbenzimidazol-5-yl) 2-(4-methoxyphenyl)acetate
CID 90538160
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
CID 175409490
6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-1-methylbenzimidazol-4-amine;6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-bis[(4-methoxyphenyl)methyl]-1-methylbenzimidazole-4,6-diamine
CID 162020822
[4-(bromomethyl)-5-methyl-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 135153897
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol
CID 172729356

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide (CID 126485109) is 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide is CCc1cc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ncc1N(C)c1cc2c(ncn2C)c(C(N)=O)n1.
What is the InChIKey of 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is ZELJLKXEUVWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O3/c1-6-23-15-28(34-17-27(23)38(3)29-16-26-30(35-20-37(26)2)31(36-29)32(33)40)39(18-21-7-11-24(41-4)12-8-21)19-22-9-13-25(42-5)14-10-22/h7-17,20H,6,18-19H2,1-5H3,(H2,33,40).
What are the key properties of 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide?
6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 565.68 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[bis[(4-methoxyphenyl)methyl]amino]-4-ethyl-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 126485109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).