1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H25N5O2 — CID 137100385

IUPAC1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCC(CCO)n1ncc2c(=O)[nH]c([C@@H]3CC[C@H]3c3ccccn3)nc21
InChIInChI=1S/C20H25N5O2/c1-2-5-13(9-11-26)25-19-16(12-22-25)20(27)24-18(23-19)15-8-7-14(15)17-6-3-4-10-21-17/h3-4,6,10,12-15,26H,2,5,7-9,11H2,1H3,(H,23,24,27)/t13?,14-,15-/m1/s1
InChIKeyRTTZQCKHPQPLMK-JVIGXAJISA-N
MW367.45 g/mol
LogP2.90
Rot. Bonds7

About 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137100385) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137100385
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCC(CCO)n1ncc2c(=O)[nH]c([C@@H]3CC[C@H]3c3ccccn3)nc21
InChIInChI=1S/C20H25N5O2/c1-2-5-13(9-11-26)25-19-16(12-22-25)20(27)24-18(23-19)15-8-7-14(15)17-6-3-4-10-21-17/h3-4,6,10,12-15,26H,2,5,7-9,11H2,1H3,(H,23,24,27)/t13?,14-,15-/m1/s1
InChIKeyRTTZQCKHPQPLMK-JVIGXAJISA-N
XLogP2.90
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,4-difluorocyclohexyl)-6-[(2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100342
1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137143252
1-(oxan-4-yl)-6-[(1S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100350
1-methyl-6-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048539
1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136641899
6-[(1R,2S)-2-(2-chloro-1,3-thiazol-4-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(1S,2R)-2-(2-chloro-1,3-thiazol-4-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyrimidin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160985692
1-(2-hydroxyethyl)-6-[(1R)-1-phenylethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135752820
6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135518148
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-[2-(dimethylamino)-1,3-thiazol-4-yl]cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100399
6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969901
6-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136741996
6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136641906

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137100385) is 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCC(CCO)n1ncc2c(=O)[nH]c([C@@H]3CC[C@H]3c3ccccn3)nc21.
What is the InChIKey of 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RTTZQCKHPQPLMK-JVIGXAJISA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-5-13(9-11-26)25-19-16(12-22-25)20(27)24-18(23-19)15-8-7-14(15)17-6-3-4-10-21-17/h3-4,6,10,12-15,26H,2,5,7-9,11H2,1H3,(H,23,24,27)/t13?,14-,15-/m1/s1.
What are the key properties of 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 367.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137100385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).