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

C19H26N4O2 — CID 18447912

IUPAC(8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILESCN(C)C1(c2ccc(N3C[C@@]4(C(N)=O)CCCCN4C3=O)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-21(2)18(10-11-18)14-5-7-15(8-6-14)22-13-19(16(20)24)9-3-4-12-23(19)17(22)25/h5-8H,3-4,9-13H2,1-2H3,(H2,20,24)/t19-/m1/s1
InChIKeySSIWQDQXKFFULL-LJQANCHMSA-N
MW342.44 g/mol
LogP1.89
Rot. Bonds4

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

(8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (PubChem CID 18447912) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide.

Molecular Properties

Compound Name(8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
PubChem CID18447912
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILESCN(C)C1(c2ccc(N3C[C@@]4(C(N)=O)CCCCN4C3=O)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-21(2)18(10-11-18)14-5-7-15(8-6-14)22-13-19(16(20)24)9-3-4-12-23(19)17(22)25/h5-8H,3-4,9-13H2,1-2H3,(H2,20,24)/t19-/m1/s1
InChIKeySSIWQDQXKFFULL-LJQANCHMSA-N
XLogP1.89
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The IUPAC name of (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (CID 18447912) is (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]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-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The canonical SMILES for (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is CN(C)C1(c2ccc(N3C[C@@]4(C(N)=O)CCCCN4C3=O)cc2)CC1.
What is the InChIKey of (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The InChIKey is SSIWQDQXKFFULL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21(2)18(10-11-18)14-5-7-15(8-6-14)22-13-19(16(20)24)9-3-4-12-23(19)17(22)25/h5-8H,3-4,9-13H2,1-2H3,(H2,20,24)/t19-/m1/s1.
What are the key properties of (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
(8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is sourced from PubChem (CID 18447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).