N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide

C25H24ClN5O4 — CID 91569967

IUPACN-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCN2CN(c3ccc(N4CCOCC4=O)cc3)C(=O)[C@H]12)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C25H24ClN5O4/c26-19-12-27-21-11-15(1-6-18(19)21)24(33)28-20-7-8-29-14-31(25(34)23(20)29)17-4-2-16(3-5-17)30-9-10-35-13-22(30)32/h1-6,11-12,20,23,27H,7-10,13-14H2,(H,28,33)/t20-,23+/m1/s1
InChIKeyKAUMCGLKMXYPDJ-OFNKIYASSA-N
MW493.95 g/mol
LogP2.36
Rot. Bonds4

About N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide

N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide (PubChem CID 91569967) has the molecular formula C25H24ClN5O4 and a molecular weight of 493.95 g/mol. Its IUPAC name is N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide
PubChem CID91569967
Molecular FormulaC25H24ClN5O4
Molecular Weight493.95 g/mol
Exact Mass493.15
IUPAC NameN-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCN2CN(c3ccc(N4CCOCC4=O)cc3)C(=O)[C@H]12)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C25H24ClN5O4/c26-19-12-27-21-11-15(1-6-18(19)21)24(33)28-20-7-8-29-14-31(25(34)23(20)29)17-4-2-16(3-5-17)30-9-10-35-13-22(30)32/h1-6,11-12,20,23,27H,7-10,13-14H2,(H,28,33)/t20-,23+/m1/s1
InChIKeyKAUMCGLKMXYPDJ-OFNKIYASSA-N
XLogP2.36
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 11202747
N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 90888077
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1,3-oxazinan-3-yl)phenyl]carbamoyl]cyclohexyl]-1H-indole-6-carboxamide
CID 162120711
3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58896263
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
N-[(8R,8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 91514049
3-chloro-N-[[(4S)-1-methylsulfonyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]methylidene]-1H-indole-6-carboxamide
CID 142943446
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
(4S)-4-[(3-chloro-1H-indole-6-carbonyl)amino]-5-oxo-5-[4-(2-oxopiperidin-1-yl)anilino]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide?
The IUPAC name of N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide (CID 91569967) is N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide?
The canonical SMILES for N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide is O=C(N[C@@H]1CCN2CN(c3ccc(N4CCOCC4=O)cc3)C(=O)[C@H]12)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide?
The InChIKey is KAUMCGLKMXYPDJ-OFNKIYASSA-N. The full InChI is InChI=1S/C25H24ClN5O4/c26-19-12-27-21-11-15(1-6-18(19)21)24(33)28-20-7-8-29-14-31(25(34)23(20)29)17-4-2-16(3-5-17)30-9-10-35-13-22(30)32/h1-6,11-12,20,23,27H,7-10,13-14H2,(H,28,33)/t20-,23+/m1/s1.
What are the key properties of N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide?
N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide has a molecular weight of 493.95 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide is sourced from PubChem (CID 91569967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).