2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide

C18H20N6O3 — CID 38962277

IUPAC2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESN#Cc1c2n(c(=O)n(CC(=O)Nc3ccnn3C3CCCC3)c1=O)CCC2
InChIInChI=1S/C18H20N6O3/c19-10-13-14-6-3-9-22(14)18(27)23(17(13)26)11-16(25)21-15-7-8-20-24(15)12-4-1-2-5-12/h7-8,12H,1-6,9,11H2,(H,21,25)
InChIKeySRKMWXUHRYDVBU-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.78
Rot. Bonds4

About 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 38962277) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID38962277
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESN#Cc1c2n(c(=O)n(CC(=O)Nc3ccnn3C3CCCC3)c1=O)CCC2
InChIInChI=1S/C18H20N6O3/c19-10-13-14-6-3-9-22(14)18(27)23(17(13)26)11-16(25)21-15-7-8-20-24(15)12-4-1-2-5-12/h7-8,12H,1-6,9,11H2,(H,21,25)
InChIKeySRKMWXUHRYDVBU-UHFFFAOYSA-N
XLogP0.78
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 38962277) is 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide is N#Cc1c2n(c(=O)n(CC(=O)Nc3ccnn3C3CCCC3)c1=O)CCC2.
What is the InChIKey of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is SRKMWXUHRYDVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c19-10-13-14-6-3-9-22(14)18(27)23(17(13)26)11-16(25)21-15-7-8-20-24(15)12-4-1-2-5-12/h7-8,12H,1-6,9,11H2,(H,21,25).
What are the key properties of 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 368.40 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 38962277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).