7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine

C76H63BrCl2N12O4 — CID 158077522

About 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine

7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine (PubChem CID 158077522) has the molecular formula C76H63BrCl2N12O4 and a molecular weight of 1359.23 g/mol. Its IUPAC name is 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine
• PubChem CID: 158077522
• Molecular Formula: C76H63BrCl2N12O4
• Molecular Weight: 1359.23 g/mol
• Exact Mass: 1356.37
• IUPAC Name: 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine
• SMILES: Brc1ccn2cncc2c1.[C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)c[nH]c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)cn(-c3ccn4cncc4c3)c2cc1C
• InChI: InChI=1S/C38H31ClN6O2.C31H27ClN4O2.C7H5BrN2/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;1-20-13-29-25(14-28(20)33-2)26(16-35-29)27-15-34-17-30(31(27)32)36(18-21-5-9-23(37-3)10-6-21)19-22-7-11-24(38-4)12-8-22;8-6-1-2-10-5-9-4-7(10)3-6/h5-20,23-24H,21-22H2,1,3-4H3;5-17,35H,18-19H2,1,3-4H3;1-5H
• InChIKey: FMNZQOBNCVAVGT-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 133.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.23
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine (CID 158077522) is 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine.

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

The canonical SMILES for 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine is Brc1ccn2cncc2c1.[C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)c[nH]c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)cn(-c3ccn4cncc4c3)c2cc1C.

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

The InChIKey is FMNZQOBNCVAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31ClN6O2.C31H27ClN4O2.C7H5BrN2/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;1-20-13-29-25(14-28(20)33-2)26(16-35-29)27-15-34-17-30(31(27)32)36(18-21-5-9-23(37-3)10-6-21)19-22-7-11-24(38-4)12-8-22;8-6-1-2-10-5-9-4-7(10)3-6/h5-20,23-24H,21-22H2,1,3-4H3;5-17,35H,18-19H2,1,3-4H3;1-5H.

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

7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 1359.23 g/mol, XLogP of 19.14, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromoimidazo[1,5-a]pyridine;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-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 158077522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).