(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide

C18H25N5O2 — CID 97199480

IUPAC(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H25N5O2/c24-18(20-11-15-12-21-23-8-2-6-19-17(15)23)14-3-1-7-22(13-14)16-4-9-25-10-5-16/h2,6,8,12,14,16H,1,3-5,7,9-11,13H2,(H,20,24)/t14-/m0/s1
InChIKeyGGPPUMRDIONLPV-AWEZNQCLSA-N
MW343.43 g/mol
LogP1.24
Rot. Bonds4

About (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide

(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 97199480) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID97199480
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H25N5O2/c24-18(20-11-15-12-21-23-8-2-6-19-17(15)23)14-3-1-7-22(13-14)16-4-9-25-10-5-16/h2,6,8,12,14,16H,1,3-5,7,9-11,13H2,(H,20,24)/t14-/m0/s1
InChIKeyGGPPUMRDIONLPV-AWEZNQCLSA-N
XLogP1.24
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

Pf-04447943
CID 135564558
Ethyl 4-[(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]-1-piperidinecarboxylate
CID 1259056
1-(oxan-4-yl)-6-[(1R)-1-[3-(pyrimidin-2-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873868
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-1-ium-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136446110
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56891951
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797553
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137068312
N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134795962
N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796146
2-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
CID 134796243
N-(cyclopropylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796272
N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796363

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide (CID 97199480) is (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cnn2cccnc12)[C@H]1CCCN(C2CCOCC2)C1.
What is the InChIKey of (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GGPPUMRDIONLPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(20-11-15-12-21-23-8-2-6-19-17(15)23)14-3-1-7-22(13-14)16-4-9-25-10-5-16/h2,6,8,12,14,16H,1,3-5,7,9-11,13H2,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97199480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).