3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile

C38H31ClN6O2 — CID 137422738

IUPAC3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cncc(-c3cn(-c4ccn5cncc5c4)c4cc(C)c(C#N)cc34)c2Cl)cc1
InChIInChI=1S/C38H31ClN6O2/c1-25-14-36-33(15-28(25)17-40)35(23-45(36)29-12-13-43-24-42-18-30(43)16-29)34-19-41-20-37(38(34)39)44(21-26-4-8-31(46-2)9-5-26)22-27-6-10-32(47-3)11-7-27/h4-16,18-20,23-24H,21-22H2,1-3H3
InChIKeyWEBRDOTVEPCQOY-UHFFFAOYSA-N
MW639.16 g/mol
LogP8.40
Rot. Bonds9

About 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile

3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile (PubChem CID 137422738) has the molecular formula C38H31ClN6O2 and a molecular weight of 639.16 g/mol. Its IUPAC name is 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile
PubChem CID137422738
Molecular FormulaC38H31ClN6O2
Molecular Weight639.16 g/mol
Exact Mass638.22
IUPAC Name3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cncc(-c3cn(-c4ccn5cncc5c4)c4cc(C)c(C#N)cc34)c2Cl)cc1
InChIInChI=1S/C38H31ClN6O2/c1-25-14-36-33(15-28(25)17-40)35(23-45(36)29-12-13-43-24-42-18-30(43)16-29)34-19-41-20-37(38(34)39)44(21-26-4-8-31(46-2)9-5-26)22-27-6-10-32(47-3)11-7-27/h4-16,18-20,23-24H,21-22H2,1-3H3
InChIKeyWEBRDOTVEPCQOY-UHFFFAOYSA-N
XLogP8.40
TPSA80.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.16
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile?
The IUPAC name of 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile (CID 137422738) is 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile is COc1ccc(CN(Cc2ccc(OC)cc2)c2cncc(-c3cn(-c4ccn5cncc5c4)c4cc(C)c(C#N)cc34)c2Cl)cc1.
What is the InChIKey of 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile?
The InChIKey is WEBRDOTVEPCQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31ClN6O2/c1-25-14-36-33(15-28(25)17-40)35(23-45(36)29-12-13-43-24-42-18-30(43)16-29)34-19-41-20-37(38(34)39)44(21-26-4-8-31(46-2)9-5-26)22-27-6-10-32(47-3)11-7-27/h4-16,18-20,23-24H,21-22H2,1-3H3.
What are the key properties of 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile?
3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile has a molecular weight of 639.16 g/mol, XLogP of 8.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-1-imidazo[1,5-a]pyridin-7-yl-6-methylindole-5-carbonitrile is sourced from PubChem (CID 137422738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).