2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one

C21H18N4O — CID 162687131

IUPAC2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1cc(-c2[nH]c3ccn(C4CC4)c(=O)c3c2-c2ccccc2)ccn1
InChIInChI=1S/C21H18N4O/c22-17-12-14(8-10-23-17)20-18(13-4-2-1-3-5-13)19-16(24-20)9-11-25(21(19)26)15-6-7-15/h1-5,8-12,15,24H,6-7H2,(H2,22,23)
InChIKeyBWKNFNSRCIBMCM-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one

2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 162687131) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID162687131
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1cc(-c2[nH]c3ccn(C4CC4)c(=O)c3c2-c2ccccc2)ccn1
InChIInChI=1S/C21H18N4O/c22-17-12-14(8-10-23-17)20-18(13-4-2-1-3-5-13)19-16(24-20)9-11-25(21(19)26)15-6-7-15/h1-5,8-12,15,24H,6-7H2,(H2,22,23)
InChIKeyBWKNFNSRCIBMCM-UHFFFAOYSA-N
XLogP3.98
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one (CID 162687131) is 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one is Nc1cc(-c2[nH]c3ccn(C4CC4)c(=O)c3c2-c2ccccc2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BWKNFNSRCIBMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-17-12-14(8-10-23-17)20-18(13-4-2-1-3-5-13)19-16(24-20)9-11-25(21(19)26)15-6-7-15/h1-5,8-12,15,24H,6-7H2,(H2,22,23).
What are the key properties of 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 342.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 162687131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).