6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine

C23H30BrN7 — CID 134176916

IUPAC6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c23)CC1
InChIInChI=1S/C23H30BrN7/c1-29-9-7-17(8-10-29)26-20-19(24)15-25-23-21(20)27-22(28-23)16-3-5-18(6-4-16)31-13-11-30(2)12-14-31/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,27,28)
InChIKeyXUKJJTXQRSEBTR-UHFFFAOYSA-N
MW484.45 g/mol
LogP3.65
Rot. Bonds4

About 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134176916) has the molecular formula C23H30BrN7 and a molecular weight of 484.45 g/mol. Its IUPAC name is 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID134176916
Molecular FormulaC23H30BrN7
Molecular Weight484.45 g/mol
Exact Mass483.17
IUPAC Name6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c23)CC1
InChIInChI=1S/C23H30BrN7/c1-29-9-7-17(8-10-29)26-20-19(24)15-25-23-21(20)27-22(28-23)16-3-5-18(6-4-16)31-13-11-30(2)12-14-31/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,27,28)
InChIKeyXUKJJTXQRSEBTR-UHFFFAOYSA-N
XLogP3.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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
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-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177287
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-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177219
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-bromo-2-[4-[4-(2-ethoxyethyl)piperidin-1-yl]phenyl]-N-(1-ethylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177011
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyphenoxy]-N-methylacetamide
CID 122446620
[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl] acetate
CID 175138627
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
4-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-propan-2-yloxyethyl)piperazin-2-one
CID 134177138

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 134176916) is 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine is CN1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c23)CC1.
What is the InChIKey of 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is XUKJJTXQRSEBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN7/c1-29-9-7-17(8-10-29)26-20-19(24)15-25-23-21(20)27-22(28-23)16-3-5-18(6-4-16)31-13-11-30(2)12-14-31/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 484.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134176916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).