N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H21N5O2 — CID 95274740

IUPACN-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)CCNC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H21N5O2/c1-12-5-2-3-9-20(12)14(22)6-8-18-16(23)13-11-19-21-10-4-7-17-15(13)21/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,18,23)/t12-/m1/s1
InChIKeyGYUWQZIQCXBGAR-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.25
Rot. Bonds4

About N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95274740) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95274740
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)CCNC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H21N5O2/c1-12-5-2-3-9-20(12)14(22)6-8-18-16(23)13-11-19-21-10-4-7-17-15(13)21/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,18,23)/t12-/m1/s1
InChIKeyGYUWQZIQCXBGAR-GFCCVEGCSA-N
XLogP1.25
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123484761
2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 97465255
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136567610
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128989490
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125007820
1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 146136440
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate
CID 165422476
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95274740) is N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H]1CCCCN1C(=O)CCNC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GYUWQZIQCXBGAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-5-2-3-9-20(12)14(22)6-8-18-16(23)13-11-19-21-10-4-7-17-15(13)21/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,18,23)/t12-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).