2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine

C22H21N7O — CID 53377857

IUPAC2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccc4nc[nH]c4c3)oc12
InChIInChI=1S/C22H21N7O/c23-22-21-16(8-20(30-21)13-1-2-18-19(7-13)27-12-26-18)17(10-25-22)14-9-28-29(11-14)15-3-5-24-6-4-15/h1-2,7-12,15,24H,3-6H2,(H2,23,25)(H,26,27)
InChIKeyGZGFUEFGRSYZKH-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.74
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine

2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine (PubChem CID 53377857) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
PubChem CID53377857
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccc4nc[nH]c4c3)oc12
InChIInChI=1S/C22H21N7O/c23-22-21-16(8-20(30-21)13-1-2-18-19(7-13)27-12-26-18)17(10-25-22)14-9-28-29(11-14)15-3-5-24-6-4-15/h1-2,7-12,15,24H,3-6H2,(H2,23,25)(H,26,27)
InChIKeyGZGFUEFGRSYZKH-UHFFFAOYSA-N
XLogP3.74
TPSA110.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine (CID 53377857) is 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccc4nc[nH]c4c3)oc12.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The InChIKey is GZGFUEFGRSYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-22-21-16(8-20(30-21)13-1-2-18-19(7-13)27-12-26-18)17(10-25-22)14-9-28-29(11-14)15-3-5-24-6-4-15/h1-2,7-12,15,24H,3-6H2,(H2,23,25)(H,26,27).
What are the key properties of 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine has a molecular weight of 399.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 53377857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).