6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

C23H27BrN8 — CID 122189151

IUPAC6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nn(C)cc1-c1nc2ncc(Br)c(N3CCN(Cc4cccnc4)CC3)c2[nH]1
InChIInChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28)
InChIKeyPTQAIHDTNUFGOQ-UHFFFAOYSA-N
MW495.43 g/mol
LogP3.96
Rot. Bonds5

About 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 122189151) has the molecular formula C23H27BrN8 and a molecular weight of 495.43 g/mol. Its IUPAC name is 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID122189151
Molecular FormulaC23H27BrN8
Molecular Weight495.43 g/mol
Exact Mass494.15
IUPAC Name6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nn(C)cc1-c1nc2ncc(Br)c(N3CCN(Cc4cccnc4)CC3)c2[nH]1
InChIInChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28)
InChIKeyPTQAIHDTNUFGOQ-UHFFFAOYSA-N
XLogP3.96
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[2-Methyl-6-(Pyrazin-2-Ylamino)pyrimidin-4-Yl]-N-(1h-Pyrazol-3-Yl)imidazo[1,2-B]pyridazin-2-Amine
CID 62706651
1-{1-[8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 66802145
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254348

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 122189151) is 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is CC(C)c1nn(C)cc1-c1nc2ncc(Br)c(N3CCN(Cc4cccnc4)CC3)c2[nH]1.
What is the InChIKey of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PTQAIHDTNUFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28).
What are the key properties of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 495.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 122189151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).