(6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide

C28H29N5O3 — CID 171706095

IUPAC(6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCc1cn(-c2ccc(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)c3cccc(N4CCCC4=O)c3)cc2)cn1
InChIInChI=1S/C28H29N5O3/c1-19-16-31(18-29-19)22-9-7-21(8-10-22)30-26(35)24-15-28(11-12-28)17-33(24)27(36)20-4-2-5-23(14-20)32-13-3-6-25(32)34/h2,4-5,7-10,14,16,18,24H,3,6,11-13,15,17H2,1H3,(H,30,35)/t24-/m0/s1
InChIKeyIMRPIDBDHXCCRP-DEOSSOPVSA-N
MW483.57 g/mol
LogP3.94
Rot. Bonds5

About (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 171706095) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID171706095
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name(6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCc1cn(-c2ccc(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)c3cccc(N4CCCC4=O)c3)cc2)cn1
InChIInChI=1S/C28H29N5O3/c1-19-16-31(18-29-19)22-9-7-21(8-10-22)30-26(35)24-15-28(11-12-28)17-33(24)27(36)20-4-2-5-23(14-20)32-13-3-6-25(32)34/h2,4-5,7-10,14,16,18,24H,3,6,11-13,15,17H2,1H3,(H,30,35)/t24-/m0/s1
InChIKeyIMRPIDBDHXCCRP-DEOSSOPVSA-N
XLogP3.94
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-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

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 110304934
(2S)-N-(4-methylsulfanylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26339181
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95348934
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989
4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
CID 175657009
3-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 9449798
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 51300296

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 171706095) is (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide is Cc1cn(-c2ccc(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)c3cccc(N4CCCC4=O)c3)cc2)cn1.
What is the InChIKey of (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is IMRPIDBDHXCCRP-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-19-16-31(18-29-19)22-9-7-21(8-10-22)30-26(35)24-15-28(11-12-28)17-33(24)27(36)20-4-2-5-23(14-20)32-13-3-6-25(32)34/h2,4-5,7-10,14,16,18,24H,3,6,11-13,15,17H2,1H3,(H,30,35)/t24-/m0/s1.
What are the key properties of (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[4-(4-methylimidazol-1-yl)phenyl]-5-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 171706095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).