[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone

C19H15N7O — CID 50940023

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ncccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C19H15N7O/c1-10-23-14-5-4-11(7-16(14)24-10)26-19(20)12(9-22-26)18(27)17-8-15-13(25-17)3-2-6-21-15/h2-9,25H,20H2,1H3,(H,23,24)
InChIKeyFWUPGRCAIARXDF-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.75
Rot. Bonds3

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone (PubChem CID 50940023) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone
PubChem CID50940023
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ncccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C19H15N7O/c1-10-23-14-5-4-11(7-16(14)24-10)26-19(20)12(9-22-26)18(27)17-8-15-13(25-17)3-2-6-21-15/h2-9,25H,20H2,1H3,(H,23,24)
InChIKeyFWUPGRCAIARXDF-UHFFFAOYSA-N
XLogP2.75
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone (CID 50940023) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ncccc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone?
The InChIKey is FWUPGRCAIARXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c1-10-23-14-5-4-11(7-16(14)24-10)26-19(20)12(9-22-26)18(27)17-8-15-13(25-17)3-2-6-21-15/h2-9,25H,20H2,1H3,(H,23,24).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone has a molecular weight of 357.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-pyrrolo[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 50940023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).