9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H17N5O4 — CID 91775659

IUPAC9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(O)c1cc2n(n1)CCN(C(=O)c1cnc3c(O)cccn3c1=O)C2
InChIInChI=1S/C17H17N5O4/c1-10(23)13-7-11-9-20(5-6-22(11)19-13)16(25)12-8-18-15-14(24)3-2-4-21(15)17(12)26/h2-4,7-8,10,23-24H,5-6,9H2,1H3
InChIKeyJDOQUIRVLDNIAZ-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.31
Rot. Bonds2

About 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 91775659) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID91775659
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(O)c1cc2n(n1)CCN(C(=O)c1cnc3c(O)cccn3c1=O)C2
InChIInChI=1S/C17H17N5O4/c1-10(23)13-7-11-9-20(5-6-22(11)19-13)16(25)12-8-18-15-14(24)3-2-4-21(15)17(12)26/h2-4,7-8,10,23-24H,5-6,9H2,1H3
InChIKeyJDOQUIRVLDNIAZ-UHFFFAOYSA-N
XLogP0.31
TPSA112.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 99990684
(4-chloro-1-methylpyrazol-3-yl)-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 99998296
3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 70782779
9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 23651681
[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 90648536
(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 99976366
4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 99972461
4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 91765436
[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 91836032
9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74234390
3-(1,3-benzothiazol-2-yl)-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 91789134
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 91775659) is 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CC(O)c1cc2n(n1)CCN(C(=O)c1cnc3c(O)cccn3c1=O)C2.
What is the InChIKey of 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JDOQUIRVLDNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-10(23)13-7-11-9-20(5-6-22(11)19-13)16(25)12-8-18-15-14(24)3-2-4-21(15)17(12)26/h2-4,7-8,10,23-24H,5-6,9H2,1H3.
What are the key properties of 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.35 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91775659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).