4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine

C60H46Cl2N12O2 — CID 160864435

About 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine

4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine (PubChem CID 160864435) has the molecular formula C60H46Cl2N12O2 and a molecular weight of 1038.02 g/mol. Its IUPAC name is 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine
• PubChem CID: 160864435
• Molecular Formula: C60H46Cl2N12O2
• Molecular Weight: 1038.02 g/mol
• Exact Mass: 1036.32
• IUPAC Name: 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine
• SMILES: [C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)cn(-c3ccn4cncc4c3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn(-c3ccn4cncc4c3)c2cc1C
• InChI: InChI=1S/C38H31ClN6O2.C22H15ClN6/c1-25-15-36-32(17-35(25)40-2)34(23-45(36)28-13-14-43-24-42-18-29(43)16-28)33-19-41-20-37(38(33)39)44(21-26-5-9-30(46-3)10-6-26)22-27-7-11-31(47-4)12-8-27;1-13-5-21-16(7-20(13)25-2)18(17-9-26-10-19(24)22(17)23)11-29(21)14-3-4-28-12-27-8-15(28)6-14/h5-20,23-24H,21-22H2,1,3-4H3;3-12H,24H2,1H3
• InChIKey: SKXOWNBXSVTCIC-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 126.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.02
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine?

The IUPAC name of 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine (CID 160864435) is 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine.

What is the SMILES notation for 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine?

The canonical SMILES for 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine is [C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)cn(-c3ccn4cncc4c3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn(-c3ccn4cncc4c3)c2cc1C.

What is the InChIKey of 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine?

The InChIKey is SKXOWNBXSVTCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31ClN6O2.C22H15ClN6/c1-25-15-36-32(17-35(25)40-2)34(23-45(36)28-13-14-43-24-42-18-29(43)16-28)33-19-41-20-37(38(33)39)44(21-26-5-9-30(46-3)10-6-26)22-27-7-11-31(47-4)12-8-27;1-13-5-21-16(7-20(13)25-2)18(17-9-26-10-19(24)22(17)23)11-29(21)14-3-4-28-12-27-8-15(28)6-14/h5-20,23-24H,21-22H2,1,3-4H3;3-12H,24H2,1H3.

What are the key properties of 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine?

4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine has a molecular weight of 1038.02 g/mol, XLogP of 14.51, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-(1-imidazo[1,5-a]pyridin-7-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine is sourced from PubChem (CID 160864435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).