1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide

C19H18N8O — CID 75202556

IUPAC1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C19H18N8O/c28-19(16-11-27(12-21-16)15-4-2-1-3-5-15)23-14-6-8-25(10-14)17-18-24-22-13-26(18)9-7-20-17/h1-5,7,9,11-14H,6,8,10H2,(H,23,28)/t14-/m0/s1
InChIKeyXMEGYBWJHRHPSC-AWEZNQCLSA-N
MW374.41 g/mol
LogP1.32
Rot. Bonds4

About 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide

1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide (PubChem CID 75202556) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
PubChem CID75202556
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C19H18N8O/c28-19(16-11-27(12-21-16)15-4-2-1-3-5-15)23-14-6-8-25(10-14)17-18-24-22-13-26(18)9-7-20-17/h1-5,7,9,11-14H,6,8,10H2,(H,23,28)/t14-/m0/s1
InChIKeyXMEGYBWJHRHPSC-AWEZNQCLSA-N
XLogP1.32
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
CID 131990152
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
CID 121022052
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
CID 119104878
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
1-buta-1,3-dien-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 123514712
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 164984997
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 75203084
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 75202692

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide (CID 75202556) is 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide is O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cn(-c2ccccc2)cn1.
What is the InChIKey of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide?
The InChIKey is XMEGYBWJHRHPSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N8O/c28-19(16-11-27(12-21-16)15-4-2-1-3-5-15)23-14-6-8-25(10-14)17-18-24-22-13-26(18)9-7-20-17/h1-5,7,9,11-14H,6,8,10H2,(H,23,28)/t14-/m0/s1.
What are the key properties of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide?
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 75202556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).