1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide

C18H23N5O3 — CID 118785551

IUPAC1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cnn2cccnc12)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H23N5O3/c24-17(20-11-14-12-21-23-7-2-6-19-16(14)23)13-4-8-22(9-5-13)18(25)15-3-1-10-26-15/h2,6-7,12-13,15H,1,3-5,8-11H2,(H,20,24)
InChIKeyYMRWNINDWACZJG-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.76
Rot. Bonds4

About 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide

1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 118785551) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID118785551
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cnn2cccnc12)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H23N5O3/c24-17(20-11-14-12-21-23-7-2-6-19-16(14)23)13-4-8-22(9-5-13)18(25)15-3-1-10-26-15/h2,6-7,12-13,15H,1,3-5,8-11H2,(H,20,24)
InChIKeyYMRWNINDWACZJG-UHFFFAOYSA-N
XLogP0.76
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110127519
N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414442
N-(2-methoxyethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797885
N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134798454
N-(2-methoxyethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134799014
N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134800039
1-[4-(Pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide
CID 51104036
(2R)-N-pyrazolo[1,5-a]pyrimidin-5-yloxolane-2-carboxamide
CID 126832003
N-[(4-fluoro-1-{pyrazolo[1,5-a]pyrimidin-5-yl}piperidin-4-yl)methyl]oxolane-3-carboxamide
CID 166600954
(4-(2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 45502398
6-(methoxymethyl)-1-methyl-4-[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine
CID 56895088
N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126467122

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide (CID 118785551) is 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cnn2cccnc12)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YMRWNINDWACZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(20-11-14-12-21-23-7-2-6-19-16(14)23)13-4-8-22(9-5-13)18(25)15-3-1-10-26-15/h2,6-7,12-13,15H,1,3-5,8-11H2,(H,20,24).
What are the key properties of 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide?
1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-2-carbonyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118785551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).