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

C18H23N5O2 — CID 18447915

IUPAC(8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILESCN1CCN=C1c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1
InChIInChI=1S/C18H23N5O2/c1-21-11-9-20-15(21)13-4-6-14(7-5-13)22-12-18(16(19)24)8-2-3-10-23(18)17(22)25/h4-7H,2-3,8-12H2,1H3,(H2,19,24)/t18-/m1/s1
InChIKeyIIJVKELDCZTKKL-GOSISDBHSA-N
MW341.42 g/mol
LogP1.03
Rot. Bonds3

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

(8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (PubChem CID 18447915) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide.

Molecular Properties

Compound Name(8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
PubChem CID18447915
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILESCN1CCN=C1c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1
InChIInChI=1S/C18H23N5O2/c1-21-11-9-20-15(21)13-4-6-14(7-5-13)22-12-18(16(19)24)8-2-3-10-23(18)17(22)25/h4-7H,2-3,8-12H2,1H3,(H2,19,24)/t18-/m1/s1
InChIKeyIIJVKELDCZTKKL-GOSISDBHSA-N
XLogP1.03
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)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-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The IUPAC name of (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (CID 18447915) is (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)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-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The canonical SMILES for (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is CN1CCN=C1c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1.
What is the InChIKey of (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The InChIKey is IIJVKELDCZTKKL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-11-9-20-15(21)13-4-6-14(7-5-13)22-12-18(16(19)24)8-2-3-10-23(18)17(22)25/h4-7H,2-3,8-12H2,1H3,(H2,19,24)/t18-/m1/s1.
What are the key properties of (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
(8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is sourced from PubChem (CID 18447915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).