N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H24N6O2 — CID 133113583

IUPACN-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C1CC1)c1nc2ncccn2n1
InChIInChI=1S/C19H24N6O2/c26-17(16-22-19-20-8-3-9-25(19)23-16)21-15-11-24(10-14(15)12-6-7-12)18(27)13-4-1-2-5-13/h3,8-9,12-15H,1-2,4-7,10-11H2,(H,21,26)/t14-,15+/m0/s1
InChIKeyDVFQPRLRVRGBGW-LSDHHAIUSA-N
MW368.44 g/mol
LogP1.28
Rot. Bonds4

About N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 133113583) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID133113583
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C1CC1)c1nc2ncccn2n1
InChIInChI=1S/C19H24N6O2/c26-17(16-22-19-20-8-3-9-25(19)23-16)21-15-11-24(10-14(15)12-6-7-12)18(27)13-4-1-2-5-13/h3,8-9,12-15H,1-2,4-7,10-11H2,(H,21,26)/t14-,15+/m0/s1
InChIKeyDVFQPRLRVRGBGW-LSDHHAIUSA-N
XLogP1.28
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 77080832
N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133128415
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
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CID 125155043
1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72894166
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 135100774
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315778
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46958435
[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 125159352
[(3S)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 167941064
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 70718055

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 133113583) is N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(N[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C1CC1)c1nc2ncccn2n1.
What is the InChIKey of N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DVFQPRLRVRGBGW-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-17(16-22-19-20-8-3-9-25(19)23-16)21-15-11-24(10-14(15)12-6-7-12)18(27)13-4-1-2-5-13/h3,8-9,12-15H,1-2,4-7,10-11H2,(H,21,26)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 133113583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).