(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

C20H19N7O2 — CID 97429696

IUPAC(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C20H19N7O2/c28-18-11-13(12-27(18)19-14-5-1-2-6-15(14)22-25-19)20(29)21-9-8-17-24-23-16-7-3-4-10-26(16)17/h1-7,10,13H,8-9,11-12H2,(H,21,29)(H,22,25)/t13-/m0/s1
InChIKeyVWRDRPSCLZSUIX-ZDUSSCGKSA-N
MW389.42 g/mol
LogP1.32
Rot. Bonds5

About (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 97429696) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID97429696
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C20H19N7O2/c28-18-11-13(12-27(18)19-14-5-1-2-6-15(14)22-25-19)20(29)21-9-8-17-24-23-16-7-3-4-10-26(16)17/h1-7,10,13H,8-9,11-12H2,(H,21,29)(H,22,25)/t13-/m0/s1
InChIKeyVWRDRPSCLZSUIX-ZDUSSCGKSA-N
XLogP1.32
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
1-(2-ethoxyphenyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 51208296
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489383
1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70737647
5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 86207232
1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 43018498
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 124855184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 97429696) is (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1nnc2ccccn12)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VWRDRPSCLZSUIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N7O2/c28-18-11-13(12-27(18)19-14-5-1-2-6-15(14)22-25-19)20(29)21-9-8-17-24-23-16-7-3-4-10-26(16)17/h1-7,10,13H,8-9,11-12H2,(H,21,29)(H,22,25)/t13-/m0/s1.
What are the key properties of (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97429696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).