(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C23H32N4O2 — CID 173179672

IUPAC(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(C3(CCN4CCCC4)CCC3)cc1)C2
InChIInChI=1S/C23H32N4O2/c24-20(28)23-11-4-15-27(23)21(29)26(17-23)19-7-5-18(6-8-19)22(9-3-10-22)12-16-25-13-1-2-14-25/h5-8H,1-4,9-17H2,(H2,24,28)/t23-/m1/s1
InChIKeyJZXGZKSZUIENHT-HSZRJFAPSA-N
MW396.54 g/mol
LogP2.85
Rot. Bonds6

About (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 173179672) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID173179672
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(C3(CCN4CCCC4)CCC3)cc1)C2
InChIInChI=1S/C23H32N4O2/c24-20(28)23-11-4-15-27(23)21(29)26(17-23)19-7-5-18(6-8-19)22(9-3-10-22)12-16-25-13-1-2-14-25/h5-8H,1-4,9-17H2,(H2,24,28)/t23-/m1/s1
InChIKeyJZXGZKSZUIENHT-HSZRJFAPSA-N
XLogP2.85
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (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) is (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(C3(CCN4CCCC4)CCC3)cc1)C2.
What is the InChIKey of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is JZXGZKSZUIENHT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H32N4O2/c24-20(28)23-11-4-15-27(23)21(29)26(17-23)19-7-5-18(6-8-19)22(9-3-10-22)12-16-25-13-1-2-14-25/h5-8H,1-4,9-17H2,(H2,24,28)/t23-/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.85, 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)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 173179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).