1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one

C15H22N6O — CID 70757842

IUPAC1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
SMILESCCCCN1CCN(c2ncnc3c2c(C)nn3C)CC1=O
InChIInChI=1S/C15H22N6O/c1-4-5-6-20-7-8-21(9-12(20)22)15-13-11(2)18-19(3)14(13)16-10-17-15/h10H,4-9H2,1-3H3
InChIKeyGXJZHGZVRABLSP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.12
Rot. Bonds4

About 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one

1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 70757842) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID70757842
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
SMILESCCCCN1CCN(c2ncnc3c2c(C)nn3C)CC1=O
InChIInChI=1S/C15H22N6O/c1-4-5-6-20-7-8-21(9-12(20)22)15-13-11(2)18-19(3)14(13)16-10-17-15/h10H,4-9H2,1-3H3
InChIKeyGXJZHGZVRABLSP-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-(4-amino-3-ethynylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 137349495
N-[1-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70707695
N-[1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70720768
N-[(3S)-1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyrrolidinyl]acetamide
CID 70772230
4-(4-isobutyl-1,4-diazepan-1-yl)-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
CID 70713505
8-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70731533
1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70765313
1-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-5-one
CID 75421993
4-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one
CID 91650220
(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95894684
(3S)-4-[6-amino-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 121452580
1-[(3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-5-fluoropiperidin-1-yl]prop-2-en-1-one
CID 126677465

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one (CID 70757842) is 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one is CCCCN1CCN(c2ncnc3c2c(C)nn3C)CC1=O.
What is the InChIKey of 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is GXJZHGZVRABLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-4-5-6-20-7-8-21(9-12(20)22)15-13-11(2)18-19(3)14(13)16-10-17-15/h10H,4-9H2,1-3H3.
What are the key properties of 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 70757842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).