1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C21H19N7O3 — CID 175964528

IUPAC1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN1CC[C@@](O)(c2cn(-c3cccc(-c4nc(C(N)=O)n5ccccc45)c3)nn2)C1=O
InChIInChI=1S/C21H19N7O3/c1-26-10-8-21(31,20(26)30)16-12-28(25-24-16)14-6-4-5-13(11-14)17-15-7-2-3-9-27(15)19(23-17)18(22)29/h2-7,9,11-12,31H,8,10H2,1H3,(H2,22,29)/t21-/m1/s1
InChIKeyWSOACRWRKNMDPC-OAQYLSRUSA-N
MW417.43 g/mol
LogP0.73
Rot. Bonds4

About 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 175964528) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID175964528
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN1CC[C@@](O)(c2cn(-c3cccc(-c4nc(C(N)=O)n5ccccc45)c3)nn2)C1=O
InChIInChI=1S/C21H19N7O3/c1-26-10-8-21(31,20(26)30)16-12-28(25-24-16)14-6-4-5-13(11-14)17-15-7-2-3-9-27(15)19(23-17)18(22)29/h2-7,9,11-12,31H,8,10H2,1H3,(H2,22,29)/t21-/m1/s1
InChIKeyWSOACRWRKNMDPC-OAQYLSRUSA-N
XLogP0.73
TPSA131.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 175964528) is 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is CN1CC[C@@](O)(c2cn(-c3cccc(-c4nc(C(N)=O)n5ccccc45)c3)nn2)C1=O.
What is the InChIKey of 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WSOACRWRKNMDPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-26-10-8-21(31,20(26)30)16-12-28(25-24-16)14-6-4-5-13(11-14)17-15-7-2-3-9-27(15)19(23-17)18(22)29/h2-7,9,11-12,31H,8,10H2,1H3,(H2,22,29)/t21-/m1/s1.
What are the key properties of 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175964528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).