6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 159264062

IUPAC6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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
SMILESBrc1ccc2cncn2c1.[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(-c3ccc4cncn4c3)c2cc1C
InChIInChI=1S/C38H31ClN6O2.C31H27ClN4O2.C7H5BrN2/c1-25-15-36-32(16-35(25)40-2)34(23-45(36)29-10-9-28-17-42-24-44(28)22-29)33-18-41-19-37(38(33)39)43(20-26-5-11-30(46-3)12-6-26)21-27-7-13-31(47-4)14-8-27;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;8-6-1-2-7-3-9-5-10(7)4-6/h5-19,22-24H,20-21H2,1,3-4H3;5-17,35H,18-19H2,1,3-4H3;1-5H
InChIKeyKWWIYFDXOIFGDC-UHFFFAOYSA-N
MW1359.23 g/mol
LogP19.14
Rot. Bonds17

About 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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

6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 159264062) has the molecular formula C76H63BrCl2N12O4 and a molecular weight of 1359.23 g/mol. Its IUPAC name is 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 Name6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 CID159264062
Molecular FormulaC76H63BrCl2N12O4
Molecular Weight1359.23 g/mol
Exact Mass1356.37
IUPAC Name6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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
SMILESBrc1ccc2cncn2c1.[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(-c3ccc4cncn4c3)c2cc1C
InChIInChI=1S/C38H31ClN6O2.C31H27ClN4O2.C7H5BrN2/c1-25-15-36-32(16-35(25)40-2)34(23-45(36)29-10-9-28-17-42-24-44(28)22-29)33-18-41-19-37(38(33)39)43(20-26-5-11-30(46-3)12-6-26)21-27-7-13-31(47-4)14-8-27;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;8-6-1-2-7-3-9-5-10(7)4-6/h5-19,22-24H,20-21H2,1,3-4H3;5-17,35H,18-19H2,1,3-4H3;1-5H
InChIKeyKWWIYFDXOIFGDC-UHFFFAOYSA-N
XLogP19.14
TPSA133.22 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.23
LogP ≤ 519.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 with MolForge

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Related Compounds

4-chloro-5-(1-imidazo[1,5-a]pyridin-6-yl-5-isocyano-6-methylindol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 145769113
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
CID 145769214
2-benzyl-6-chloro-1-(4-imidazol-1-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-chloro-1-(2,5-difluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;ethyl 1-(4-bromophenyl)-6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-fluoro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157461197
6-bromo-[1,2,4]triazolo[4,3-a]pyridine;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-[5-isocyano-6-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)indol-3-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 157821570
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
5-bromo-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)
CID 158707175
2-bromo-5-methylsulfonylpyridine;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine;4-chloro-5-[5-isocyano-6-methyl-1-(5-methylsulfonyl-2-pyridinyl)indol-3-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 159172391
5-bromo-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;methane;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)
CID 159190128
5-bromo-4-chloro-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;5-isocyano-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 159258524
6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;imidazol-1-ylmethyl 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;O-phenyl 1-(4-bromophenyl)-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate
CID 159362640
5-bromo-2-(2-chlorophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2-(2-bromophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;N-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;2-(2-chlorophenyl)-N-pentylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-pentylimidazo[1,2-a]pyridin-3-amine
CID 159550521
4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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-6-yl-5-isocyano-6-methylindol-3-yl)pyridin-3-amine
CID 160073648

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 159264062) is 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 Brc1ccc2cncn2c1.[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(-c3ccc4cncn4c3)c2cc1C.
What is the InChIKey of 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 KWWIYFDXOIFGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31ClN6O2.C31H27ClN4O2.C7H5BrN2/c1-25-15-36-32(16-35(25)40-2)34(23-45(36)29-10-9-28-17-42-24-44(28)22-29)33-18-41-19-37(38(33)39)43(20-26-5-11-30(46-3)12-6-26)21-27-7-13-31(47-4)14-8-27;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;8-6-1-2-7-3-9-5-10(7)4-6/h5-19,22-24H,20-21H2,1,3-4H3;5-17,35H,18-19H2,1,3-4H3;1-5H.
What are the key properties of 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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?
6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 6-bromoimidazo[1,5-a]pyridine;4-chloro-5-(1-imidazo[1,5-a]pyridin-6-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 159264062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).