6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C29H35BrN8 — CID 134177219

IUPAC6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCC(C)N1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(c6cccnc6)CC5)cc4)[nH]c23)CC1
InChIInChI=1S/C29H35BrN8/c1-20(2)36-12-9-22(10-13-36)33-26-25(30)19-32-29-27(26)34-28(35-29)21-5-7-23(8-6-21)37-14-16-38(17-15-37)24-4-3-11-31-18-24/h3-8,11,18-20,22H,9-10,12-17H2,1-2H3,(H2,32,33,34,35)
InChIKeyVVSAGGIOGPUXFT-UHFFFAOYSA-N
MW575.56 g/mol
LogP5.39
Rot. Bonds6

About 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134177219) has the molecular formula C29H35BrN8 and a molecular weight of 575.56 g/mol. Its IUPAC name is 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID134177219
Molecular FormulaC29H35BrN8
Molecular Weight575.56 g/mol
Exact Mass574.22
IUPAC Name6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCC(C)N1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(c6cccnc6)CC5)cc4)[nH]c23)CC1
InChIInChI=1S/C29H35BrN8/c1-20(2)36-12-9-22(10-13-36)33-26-25(30)19-32-29-27(26)34-28(35-29)21-5-7-23(8-6-21)37-14-16-38(17-15-37)24-4-3-11-31-18-24/h3-8,11,18-20,22H,9-10,12-17H2,1-2H3,(H2,32,33,34,35)
InChIKeyVVSAGGIOGPUXFT-UHFFFAOYSA-N
XLogP5.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.56
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[4-[6-bromo-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]propanenitrile
CID 134177021
6-bromo-N-(1-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177285
6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134176916
1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 134177207
3-[4-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]propanenitrile
CID 134177020
6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177287
1-[4-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 134177434
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177426
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 122446562
6-chloro-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177128
2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide
CID 122446430
6-bromo-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177273

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 134177219) is 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CC(C)N1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(c6cccnc6)CC5)cc4)[nH]c23)CC1.
What is the InChIKey of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is VVSAGGIOGPUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35BrN8/c1-20(2)36-12-9-22(10-13-36)33-26-25(30)19-32-29-27(26)34-28(35-29)21-5-7-23(8-6-21)37-14-16-38(17-15-37)24-4-3-11-31-18-24/h3-8,11,18-20,22H,9-10,12-17H2,1-2H3,(H2,32,33,34,35).
What are the key properties of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 575.56 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134177219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).