N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide

C24H29ClN4O2S — CID 91421560

IUPACN-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
SMILESCN(C)C1(c2ccc(N3C[C@@H]4[C@H](NC(=O)c5ccc(Cl)s5)CCN4C3=O)cc2)CCCC1
InChIInChI=1S/C24H29ClN4O2S/c1-27(2)24(12-3-4-13-24)16-5-7-17(8-6-16)29-15-19-18(11-14-28(19)23(29)31)26-22(30)20-9-10-21(25)32-20/h5-10,18-19H,3-4,11-15H2,1-2H3,(H,26,30)/t18-,19-/m1/s1
InChIKeyKFBBULGGFAEQAW-RTBURBONSA-N
MW473.04 g/mol
LogP4.55
Rot. Bonds5

About N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide

N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide (PubChem CID 91421560) has the molecular formula C24H29ClN4O2S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
PubChem CID91421560
Molecular FormulaC24H29ClN4O2S
Molecular Weight473.04 g/mol
Exact Mass472.17
IUPAC NameN-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
SMILESCN(C)C1(c2ccc(N3C[C@@H]4[C@H](NC(=O)c5ccc(Cl)s5)CCN4C3=O)cc2)CCCC1
InChIInChI=1S/C24H29ClN4O2S/c1-27(2)24(12-3-4-13-24)16-5-7-17(8-6-16)29-15-19-18(11-14-28(19)23(29)31)26-22(30)20-9-10-21(25)32-20/h5-10,18-19H,3-4,11-15H2,1-2H3,(H,26,30)/t18-,19-/m1/s1
InChIKeyKFBBULGGFAEQAW-RTBURBONSA-N
XLogP4.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.04
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7R,7aR)-2-[4-[1-[(dimethylamino)methyl]cyclobutyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91105647
N-[(7R,7aR)-3-oxo-2-[4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91215690
N-[(7R,7aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91389203
N-[(7R,7aR)-2-[4-[4-(dimethylamino)-2-methylbutan-2-yl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91275507
N-[(7R,7aR)-3-oxo-2-[4-(2-phenyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91094059
N-[(7R,7aS)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-oxo-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91253352
N-[(7R,7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91071994
N-[(7R,7aR)-2-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91037315
N-[(7R,7aR)-2-[4-(2-methyl-4-morpholin-4-ylbutan-2-yl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 90796074
(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
CID 173179662
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1-propan-2-ylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 69437051
5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 59019888

Frequently Asked Questions

What is the IUPAC name of N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide (CID 91421560) is N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide is CN(C)C1(c2ccc(N3C[C@@H]4[C@H](NC(=O)c5ccc(Cl)s5)CCN4C3=O)cc2)CCCC1.
What is the InChIKey of N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide?
The InChIKey is KFBBULGGFAEQAW-RTBURBONSA-N. The full InChI is InChI=1S/C24H29ClN4O2S/c1-27(2)24(12-3-4-13-24)16-5-7-17(8-6-16)29-15-19-18(11-14-28(19)23(29)31)26-22(30)20-9-10-21(25)32-20/h5-10,18-19H,3-4,11-15H2,1-2H3,(H,26,30)/t18-,19-/m1/s1.
What are the key properties of N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide?
N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide has a molecular weight of 473.04 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 91421560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).