1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one

C20H21N7O — CID 133336812

IUPAC1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2=O)cn1
InChIInChI=1S/C20H21N7O/c1-25-12-14(11-22-25)27-10-9-26(13-18(27)28)20-15-5-4-7-16(15)23-19(24-20)17-6-2-3-8-21-17/h2-3,6,8,11-12H,4-5,7,9-10,13H2,1H3
InChIKeyLUNJTJXLHPWBQE-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.61
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 133336812) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
PubChem CID133336812
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2=O)cn1
InChIInChI=1S/C20H21N7O/c1-25-12-14(11-22-25)27-10-9-26(13-18(27)28)20-15-5-4-7-16(15)23-19(24-20)17-6-2-3-8-21-17/h2-3,6,8,11-12H,4-5,7,9-10,13H2,1H3
InChIKeyLUNJTJXLHPWBQE-UHFFFAOYSA-N
XLogP1.61
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one (CID 133336812) is 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one is Cn1cc(N2CCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is LUNJTJXLHPWBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-25-12-14(11-22-25)27-10-9-26(13-18(27)28)20-15-5-4-7-16(15)23-19(24-20)17-6-2-3-8-21-17/h2-3,6,8,11-12H,4-5,7,9-10,13H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 375.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 133336812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).