(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide

C16H21N5O2 — CID 92632456

IUPAC(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN(C(=O)c2cnn3cc(C)cnc23)C1
InChIInChI=1S/C16H21N5O2/c1-11-7-18-13-12(8-19-21(13)9-11)14(22)20-6-4-5-16(2,10-20)15(23)17-3/h7-9H,4-6,10H2,1-3H3,(H,17,23)/t16-/m1/s1
InChIKeyBVQBGWNBNAITPV-MRXNPFEDSA-N
MW315.38 g/mol
LogP1.03
Rot. Bonds2

About (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide

(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 92632456) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID92632456
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN(C(=O)c2cnn3cc(C)cnc23)C1
InChIInChI=1S/C16H21N5O2/c1-11-7-18-13-12(8-19-21(13)9-11)14(22)20-6-4-5-16(2,10-20)15(23)17-3/h7-9H,4-6,10H2,1-3H3,(H,17,23)/t16-/m1/s1
InChIKeyBVQBGWNBNAITPV-MRXNPFEDSA-N
XLogP1.03
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopentyl-2-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)morpholine-2-carboxamide
CID 92632661
N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
CID 92633814
4-[[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 95721678
(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133133153
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
N,N-dimethyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
CID 92633808
(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
CID 92632445
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 103116765
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 95727070
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 56869725
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014027
3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256608

Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide (CID 92632456) is (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide is CNC(=O)[C@]1(C)CCCN(C(=O)c2cnn3cc(C)cnc23)C1.
What is the InChIKey of (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is BVQBGWNBNAITPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-7-18-13-12(8-19-21(13)9-11)14(22)20-6-4-5-16(2,10-20)15(23)17-3/h7-9H,4-6,10H2,1-3H3,(H,17,23)/t16-/m1/s1.
What are the key properties of (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide?
(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92632456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).