(2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid

C15H19N5O3 — CID 119070673

IUPAC(2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CN[C@H](C(=O)O)C3)c2n1
InChIInChI=1S/C15H19N5O3/c1-7-4-8(2)20-13(17-7)12(9(3)19-20)14(21)18-10-5-11(15(22)23)16-6-10/h4,10-11,16H,5-6H2,1-3H3,(H,18,21)(H,22,23)/t10-,11-/m0/s1
InChIKeySKDLUXYHSYQVHB-QWRGUYRKSA-N
MW317.35 g/mol
LogP0.20
Rot. Bonds3

About (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid

(2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid (PubChem CID 119070673) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
PubChem CID119070673
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CN[C@H](C(=O)O)C3)c2n1
InChIInChI=1S/C15H19N5O3/c1-7-4-8(2)20-13(17-7)12(9(3)19-20)14(21)18-10-5-11(15(22)23)16-6-10/h4,10-11,16H,5-6H2,1-3H3,(H,18,21)(H,22,23)/t10-,11-/m0/s1
InChIKeySKDLUXYHSYQVHB-QWRGUYRKSA-N
XLogP0.20
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
2,5,7-trimethyl-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119427141
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155493684
N-[2-(cycloheptylamino)ethyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119620516
2,5,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119536193
2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119447428
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119220654
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 162634235
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112841011

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid (CID 119070673) is (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid is Cc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CN[C@H](C(=O)O)C3)c2n1.
What is the InChIKey of (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid?
The InChIKey is SKDLUXYHSYQVHB-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-7-4-8(2)20-13(17-7)12(9(3)19-20)14(21)18-10-5-11(15(22)23)16-6-10/h4,10-11,16H,5-6H2,1-3H3,(H,18,21)(H,22,23)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119070673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).