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

C25H21N7O — CID 137019320

IUPAC5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H21N7O/c1-14(2)28-18-9-17(11-26-12-18)15-3-4-20-19(10-15)23(32-31-20)25-29-21-5-7-27-22(24(21)30-25)16-6-8-33-13-16/h3-14,28H,1-2H3,(H,29,30)(H,31,32)
InChIKeyPMSPQAZNHBUHPJ-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.64
Rot. Bonds5

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

5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137019320) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID137019320
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H21N7O/c1-14(2)28-18-9-17(11-26-12-18)15-3-4-20-19(10-15)23(32-31-20)25-29-21-5-7-27-22(24(21)30-25)16-6-8-33-13-16/h3-14,28H,1-2H3,(H,29,30)(H,31,32)
InChIKeyPMSPQAZNHBUHPJ-UHFFFAOYSA-N
XLogP5.64
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137019320) is 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is PMSPQAZNHBUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-14(2)28-18-9-17(11-26-12-18)15-3-4-20-19(10-15)23(32-31-20)25-29-21-5-7-27-22(24(21)30-25)16-6-8-33-13-16/h3-14,28H,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 435.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137019320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).