2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C16H13N5O — CID 16719971

IUPAC2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4cncnc4)c3)cc21
InChIInChI=1S/C16H13N5O/c22-16-12-6-15(21-13(12)2-4-20-16)10-1-3-19-14(5-10)11-7-17-9-18-8-11/h1,3,5-9,21H,2,4H2,(H,20,22)
InChIKeyPBXJEGAZNPWTKA-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.82
Rot. Bonds2

About 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 16719971) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID16719971
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4cncnc4)c3)cc21
InChIInChI=1S/C16H13N5O/c22-16-12-6-15(21-13(12)2-4-20-16)10-1-3-19-14(5-10)11-7-17-9-18-8-11/h1,3,5-9,21H,2,4H2,(H,20,22)
InChIKeyPBXJEGAZNPWTKA-UHFFFAOYSA-N
XLogP1.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 16719971) is 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4cncnc4)c3)cc21.
What is the InChIKey of 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PBXJEGAZNPWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16-12-6-15(21-13(12)2-4-20-16)10-1-3-19-14(5-10)11-7-17-9-18-8-11/h1,3,5-9,21H,2,4H2,(H,20,22).
What are the key properties of 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 291.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-5-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 16719971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).