(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide

C22H30N4O2 — CID 173179559

IUPAC(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
SMILESNC(=O)C1[C@H]2CCCN2C(=O)N1c1ccc(C2(CCN3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c23-20(27)19-18-4-3-14-25(18)21(28)26(19)17-7-5-16(6-8-17)22(9-10-22)11-15-24-12-1-2-13-24/h5-8,18-19H,1-4,9-15H2,(H2,23,27)/t18-,19?/m1/s1
InChIKeyGYLPQPRZQQQUOO-MRTLOADZSA-N
MW382.51 g/mol
LogP2.46
Rot. Bonds6

About (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide

(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide (PubChem CID 173179559) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
PubChem CID173179559
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
SMILESNC(=O)C1[C@H]2CCCN2C(=O)N1c1ccc(C2(CCN3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c23-20(27)19-18-4-3-14-25(18)21(28)26(19)17-7-5-16(6-8-17)22(9-10-22)11-15-24-12-1-2-13-24/h5-8,18-19H,1-4,9-15H2,(H2,23,27)/t18-,19?/m1/s1
InChIKeyGYLPQPRZQQQUOO-MRTLOADZSA-N
XLogP2.46
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7aR)-2-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
CID 173179534
(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
CID 173179662
(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 173179672
(8aR)-2-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 173179657
(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide
CID 173179606
1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol
CID 59020094
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
CID 173179794
2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide
CID 173174579
4-[2-[1-[4-[3-[hydroxysulfinothioyl(sulfanyl)amino]-2-oxopyrrolidin-1-yl]phenyl]cyclopropyl]ethyl]morpholine
CID 142892139
[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51505536
2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
CID 139908152
2-[4-[4-(4-aminophenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;chloride;hydrate
CID 53347115

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
The IUPAC name of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide (CID 173179559) is (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide is NC(=O)C1[C@H]2CCCN2C(=O)N1c1ccc(C2(CCN3CCCC3)CC2)cc1.
What is the InChIKey of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
The InChIKey is GYLPQPRZQQQUOO-MRTLOADZSA-N. The full InChI is InChI=1S/C22H30N4O2/c23-20(27)19-18-4-3-14-25(18)21(28)26(19)17-7-5-16(6-8-17)22(9-10-22)11-15-24-12-1-2-13-24/h5-8,18-19H,1-4,9-15H2,(H2,23,27)/t18-,19?/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide is sourced from PubChem (CID 173179559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).