5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine

C21H19N7 — CID 137134069

IUPAC5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ncccc5[nH]4)c3c2)c1
InChIInChI=1S/C21H19N7/c1-12(2)24-15-8-14(10-22-11-15)13-5-6-17-16(9-13)19(28-27-17)21-25-18-4-3-7-23-20(18)26-21/h3-12,24H,1-2H3,(H,27,28)(H,23,25,26)
InChIKeyVQUHBMRQPIUTBZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.38
Rot. Bonds4

About 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine

5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137134069) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID137134069
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ncccc5[nH]4)c3c2)c1
InChIInChI=1S/C21H19N7/c1-12(2)24-15-8-14(10-22-11-15)13-5-6-17-16(9-13)19(28-27-17)21-25-18-4-3-7-23-20(18)26-21/h3-12,24H,1-2H3,(H,27,28)(H,23,25,26)
InChIKeyVQUHBMRQPIUTBZ-UHFFFAOYSA-N
XLogP4.38
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137134069) is 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ncccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is VQUHBMRQPIUTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-12(2)24-15-8-14(10-22-11-15)13-5-6-17-16(9-13)19(28-27-17)21-25-18-4-3-7-23-20(18)26-21/h3-12,24H,1-2H3,(H,27,28)(H,23,25,26).
What are the key properties of 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 369.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137134069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).