2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine

C23H25N9 — CID 136937844

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3c2)n1C
InChIInChI=1S/C23H25N9/c1-14-25-13-19(31(14)3)15-4-5-17-16(12-15)20(29-28-17)23-26-21-18(6-7-24-22(21)27-23)32-10-8-30(2)9-11-32/h4-7,12-13H,8-11H2,1-3H3,(H,28,29)(H,24,26,27)
InChIKeyLACPBAZTHUIRQY-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.96
Rot. Bonds3

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 136937844) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID136937844
Molecular FormulaC23H25N9
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3c2)n1C
InChIInChI=1S/C23H25N9/c1-14-25-13-19(31(14)3)15-4-5-17-16(12-15)20(29-28-17)23-26-21-18(6-7-24-22(21)27-23)32-10-8-30(2)9-11-32/h4-7,12-13H,8-11H2,1-3H3,(H,28,29)(H,24,26,27)
InChIKeyLACPBAZTHUIRQY-UHFFFAOYSA-N
XLogP2.96
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137042025
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137134048
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137014616
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137134050
7-piperidin-1-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 136938051
4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 137135670
2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 136938039
10,15-dimethyl-3,6,10,15,19,26,27,31-octazahexacyclo[20.5.2.12,5.117,21.04,9.025,28]hentriaconta-1(27),2(31),4(9),5,7,17(30),18,20,22(29),23,25(28)-undecaene
CID 153295770
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137102128
5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137135311
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137042515
5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137102168

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine (CID 136937844) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3c2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LACPBAZTHUIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9/c1-14-25-13-19(31(14)3)15-4-5-17-16(12-15)20(29-28-17)23-26-21-18(6-7-24-22(21)27-23)32-10-8-30(2)9-11-32/h4-7,12-13H,8-11H2,1-3H3,(H,28,29)(H,24,26,27).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 427.52 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).