2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C22H23N5O3 — CID 59723298

IUPAC2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC1CCCC1
InChIInChI=1S/C22H23N5O3/c1-29-19-7-6-14(12-20(19)30-15-4-2-3-5-15)21-23-9-8-16(25-21)17-13-18-22(28)24-10-11-27(18)26-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,24,28)
InChIKeyJCTHDVNFJQVSHJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.08
Rot. Bonds5

About 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723298) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723298
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC1CCCC1
InChIInChI=1S/C22H23N5O3/c1-29-19-7-6-14(12-20(19)30-15-4-2-3-5-15)21-23-9-8-16(25-21)17-13-18-22(28)24-10-11-27(18)26-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,24,28)
InChIKeyJCTHDVNFJQVSHJ-UHFFFAOYSA-N
XLogP3.08
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723298) is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC1CCCC1.
What is the InChIKey of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JCTHDVNFJQVSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-19-7-6-14(12-20(19)30-15-4-2-3-5-15)21-23-9-8-16(25-21)17-13-18-22(28)24-10-11-27(18)26-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,24,28).
What are the key properties of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 405.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).