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

C26H33ClN4O3S — CID 90796074

IUPACN-[(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
SMILESCC(C)(CCN1CCOCC1)c1ccc(N2C[C@@H]3[C@H](NC(=O)c4ccc(Cl)s4)CCN3C2=O)cc1
InChIInChI=1S/C26H33ClN4O3S/c1-26(2,10-12-29-13-15-34-16-14-29)18-3-5-19(6-4-18)31-17-21-20(9-11-30(21)25(31)33)28-24(32)22-7-8-23(27)35-22/h3-8,20-21H,9-17H2,1-2H3,(H,28,32)/t20-,21-/m1/s1
InChIKeyUPAQJNZPITUQGH-NHCUHLMSSA-N
MW517.10 g/mol
LogP4.21
Rot. Bonds7

About 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

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 (PubChem CID 90796074) has the molecular formula C26H33ClN4O3S and a molecular weight of 517.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID90796074
Molecular FormulaC26H33ClN4O3S
Molecular Weight517.10 g/mol
Exact Mass516.20
IUPAC NameN-[(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
SMILESCC(C)(CCN1CCOCC1)c1ccc(N2C[C@@H]3[C@H](NC(=O)c4ccc(Cl)s4)CCN3C2=O)cc1
InChIInChI=1S/C26H33ClN4O3S/c1-26(2,10-12-29-13-15-34-16-14-29)18-3-5-19(6-4-18)31-17-21-20(9-11-30(21)25(31)33)28-24(32)22-7-8-23(27)35-22/h3-8,20-21H,9-17H2,1-2H3,(H,28,32)/t20-,21-/m1/s1
InChIKeyUPAQJNZPITUQGH-NHCUHLMSSA-N
XLogP4.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.10
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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)-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
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-(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)-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-(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)-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
5-chloro-N-[(1R,2S,4S)-4-(2-morpholin-4-ylethoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69438315
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
CID 90891307
5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane
CID 143254138

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(CCN1CCOCC1)c1ccc(N2C[C@@H]3[C@H](NC(=O)c4ccc(Cl)s4)CCN3C2=O)cc1.
What is the InChIKey of 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?
The InChIKey is UPAQJNZPITUQGH-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H33ClN4O3S/c1-26(2,10-12-29-13-15-34-16-14-29)18-3-5-19(6-4-18)31-17-21-20(9-11-30(21)25(31)33)28-24(32)22-7-8-23(27)35-22/h3-8,20-21H,9-17H2,1-2H3,(H,28,32)/t20-,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 517.10 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90796074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).