7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N5O2 — CID 110101013

IUPAC7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C3CCCN(C4CCOCC4)C3)ccnc12
InChIInChI=1S/C17H23N5O2/c18-16(23)14-10-20-22-15(3-6-19-17(14)22)12-2-1-7-21(11-12)13-4-8-24-9-5-13/h3,6,10,12-13H,1-2,4-5,7-9,11H2,(H2,18,23)
InChIKeySCJGYFSCSAUPIC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.19
Rot. Bonds3

About 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110101013) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110101013
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C3CCCN(C4CCOCC4)C3)ccnc12
InChIInChI=1S/C17H23N5O2/c18-16(23)14-10-20-22-15(3-6-19-17(14)22)12-2-1-7-21(11-12)13-4-8-24-9-5-13/h3,6,10,12-13H,1-2,4-5,7-9,11H2,(H2,18,23)
InChIKeySCJGYFSCSAUPIC-UHFFFAOYSA-N
XLogP1.19
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-7-(difluoromethyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2165688
1-[(5,7-Dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
CID 3244226
N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555267
(R)-5-(2-(5-fluoropyridin-3-yl)pyrrolidin-1-yl)-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501419
N-[1-(4-methylphenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327991
6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873859
6-[(1S,2S)-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)cyclobutyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136166099
N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556460
Ethyl 7-amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 53318089
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926845
7-[1-(2-Hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110100913
[3-(2-Methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110242511

Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110101013) is 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(C3CCCN(C4CCOCC4)C3)ccnc12.
What is the InChIKey of 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SCJGYFSCSAUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-16(23)14-10-20-22-15(3-6-19-17(14)22)12-2-1-7-21(11-12)13-4-8-24-9-5-13/h3,6,10,12-13H,1-2,4-5,7-9,11H2,(H2,18,23).
What are the key properties of 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110101013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).