3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H25N5O3 — CID 70748635

IUPAC3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OC1=O
InChIInChI=1S/C19H25N5O3/c1-3-5-14(2)23-13-19(27-18(23)26)6-10-22(11-7-19)17(25)15-12-21-24-9-4-8-20-16(15)24/h4,8-9,12,14H,3,5-7,10-11,13H2,1-2H3
InChIKeyPTHVZEDWRHFJOR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.34
Rot. Bonds4

About 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70748635) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70748635
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OC1=O
InChIInChI=1S/C19H25N5O3/c1-3-5-14(2)23-13-19(27-18(23)26)6-10-22(11-7-19)17(25)15-12-21-24-9-4-8-20-16(15)24/h4,8-9,12,14H,3,5-7,10-11,13H2,1-2H3
InChIKeyPTHVZEDWRHFJOR-UHFFFAOYSA-N
XLogP2.34
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]-1-piperidinecarboxylate
CID 1259056
N-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpiperidin-1-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49855709
tert-Butyl 4-(4-carbamoyl-3-(pyrimidin-4-ylamino)-1H-pyrazol-1-yl)-4-(cyanomethyl)piperidine-1-carboxylate
CID 86729381
1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873836
1-cyclopentyl-6-[(1R)-1-[(3S)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873898
US11142526, Example 145
CID 137533032
US11142526, Example 144
CID 137533035
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 53605507
(3-Imidazol-1-ylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 53625251
(2-Ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 2975280
({3-[(4-Allyl-4-methoxypiperidin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)diethylamine
CID 56711704
N-ethyl-N-({3-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)ethanamine
CID 56712099

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70748635) is 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OC1=O.
What is the InChIKey of 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PTHVZEDWRHFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-5-14(2)23-13-19(27-18(23)26)6-10-22(11-7-19)17(25)15-12-21-24-9-4-8-20-16(15)24/h4,8-9,12,14H,3,5-7,10-11,13H2,1-2H3.
What are the key properties of 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 371.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-8-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70748635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).