(8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide

C21H29N5O3 — CID 173179724

IUPAC(8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILESCN(C(=O)CN1CCCC1)c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1
InChIInChI=1S/C21H29N5O3/c1-23(18(27)14-24-11-4-5-12-24)16-6-8-17(9-7-16)25-15-21(19(22)28)10-2-3-13-26(21)20(25)29/h6-9H,2-5,10-15H2,1H3,(H2,22,28)/t21-/m1/s1
InChIKeyHMTUDIHASSQMBH-OAQYLSRUSA-N
MW399.50 g/mol
LogP1.40
Rot. Bonds5

About (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide

(8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (PubChem CID 173179724) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide.

Molecular Properties

Compound Name(8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
PubChem CID173179724
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name(8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILESCN(C(=O)CN1CCCC1)c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1
InChIInChI=1S/C21H29N5O3/c1-23(18(27)14-24-11-4-5-12-24)16-6-8-17(9-7-16)25-15-21(19(22)28)10-2-3-13-26(21)20(25)29/h6-9H,2-5,10-15H2,1H3,(H2,22,28)/t21-/m1/s1
InChIKeyHMTUDIHASSQMBH-OAQYLSRUSA-N
XLogP1.40
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The IUPAC name of (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (CID 173179724) is (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide.
What is the SMILES notation for (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The canonical SMILES for (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is CN(C(=O)CN1CCCC1)c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1.
What is the InChIKey of (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The InChIKey is HMTUDIHASSQMBH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-23(18(27)14-24-11-4-5-12-24)16-6-8-17(9-7-16)25-15-21(19(22)28)10-2-3-13-26(21)20(25)29/h6-9H,2-5,10-15H2,1H3,(H2,22,28)/t21-/m1/s1.
What are the key properties of (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
(8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is sourced from PubChem (CID 173179724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).