1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

C27H28N6O — CID 67573009

IUPAC1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cc(-c2cc3c(ncn3C)c(C#N)n2)ccc1OCCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H28N6O/c1-19-15-21(22-16-24-27(23(17-28)31-22)30-18-32(24)2)6-7-25(19)34-14-10-20-8-12-33(13-9-20)26-5-3-4-11-29-26/h3-7,11,15-16,18,20H,8-10,12-14H2,1-2H3
InChIKeyJMPKSVGUPDTBHY-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.90
Rot. Bonds6

About 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 67573009) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID67573009
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cc(-c2cc3c(ncn3C)c(C#N)n2)ccc1OCCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H28N6O/c1-19-15-21(22-16-24-27(23(17-28)31-22)30-18-32(24)2)6-7-25(19)34-14-10-20-8-12-33(13-9-20)26-5-3-4-11-29-26/h3-7,11,15-16,18,20H,8-10,12-14H2,1-2H3
InChIKeyJMPKSVGUPDTBHY-UHFFFAOYSA-N
XLogP4.90
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
CID 70958290
1-methyl-6-[4-[2-(1-pyridin-2-ylpyrrolidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 67294299
6-[4-[2-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethoxy]-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
CID 70958424
6-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]ethoxy]-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
CID 70958401
1-methyl-6-[4-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 67298894
ethanimidoyl 2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidate
CID 91322642
1-methyl-6-[4-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;2,2,2-trifluoroacetaldehyde
CID 162245046
N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide
CID 171930133
N,N-diethylethanamine;methanesulfonyl chloride;1-methyl-6-[3-methyl-4-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[3-methyl-4-(2-piperidin-4-ylethoxy)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 159579788
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide
CID 59410635
6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
CID 46842744
3-amino-4-[amino(methyl)amino]-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 123358234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 67573009) is 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is Cc1cc(-c2cc3c(ncn3C)c(C#N)n2)ccc1OCCC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is JMPKSVGUPDTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-19-15-21(22-16-24-27(23(17-28)31-22)30-18-32(24)2)6-7-25(19)34-14-10-20-8-12-33(13-9-20)26-5-3-4-11-29-26/h3-7,11,15-16,18,20H,8-10,12-14H2,1-2H3.
What are the key properties of 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 452.56 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-methyl-4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 67573009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).