(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

C18H22N4O3 — CID 173179534

IUPAC(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
SMILESNC(=O)CC1(c2ccc(N3C(=O)N4CCC[C@@H]4C3C(N)=O)cc2)CC1
InChIInChI=1S/C18H22N4O3/c19-14(23)10-18(7-8-18)11-3-5-12(6-4-11)22-15(16(20)24)13-2-1-9-21(13)17(22)25/h3-6,13,15H,1-2,7-10H2,(H2,19,23)(H2,20,24)/t13-,15?/m1/s1
InChIKeyQNLSSKZCMUQLKM-AFYYWNPRSA-N
MW342.40 g/mol
LogP0.85
Rot. Bonds5

About (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

(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 (PubChem CID 173179534) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID173179534
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(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
SMILESNC(=O)CC1(c2ccc(N3C(=O)N4CCC[C@@H]4C3C(N)=O)cc2)CC1
InChIInChI=1S/C18H22N4O3/c19-14(23)10-18(7-8-18)11-3-5-12(6-4-11)22-15(16(20)24)13-2-1-9-21(13)17(22)25/h3-6,13,15H,1-2,7-10H2,(H2,19,23)(H2,20,24)/t13-,15?/m1/s1
InChIKeyQNLSSKZCMUQLKM-AFYYWNPRSA-N
XLogP0.85
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (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 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)-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
(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
CID 173179662
(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
2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
CID 138702076
2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid
CID 117438263
2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
CID 139908152
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
6-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 44581328
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide
CID 175295924
2-[1-(6-methoxy-3-pyridinyl)cyclopropyl]acetamide
CID 139882127
2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
CID 130407618

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is NC(=O)CC1(c2ccc(N3C(=O)N4CCC[C@@H]4C3C(N)=O)cc2)CC1.
What is the InChIKey of (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?
The InChIKey is QNLSSKZCMUQLKM-AFYYWNPRSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-14(23)10-18(7-8-18)11-3-5-12(6-4-11)22-15(16(20)24)13-2-1-9-21(13)17(22)25/h3-6,13,15H,1-2,7-10H2,(H2,19,23)(H2,20,24)/t13-,15?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 342.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 173179534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).