6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide

C22H21ClN4O — CID 138470421

IUPAC6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide
SMILESCc1cc(Cl)nc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1
InChIInChI=1S/C22H21ClN4O/c1-13-9-18(24-20(23)10-13)22(28)26-17-7-6-14-4-5-15(11-16(14)17)19-12-27-8-2-3-21(27)25-19/h4-5,9-12,17H,2-3,6-8H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyJLEPAWFWJUFHPA-QGZVFWFLSA-N
MW392.89 g/mol
LogP4.27
Rot. Bonds3

About 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide

6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide (PubChem CID 138470421) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide
PubChem CID138470421
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide
SMILESCc1cc(Cl)nc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1
InChIInChI=1S/C22H21ClN4O/c1-13-9-18(24-20(23)10-13)22(28)26-17-7-6-14-4-5-15(11-16(14)17)19-12-27-8-2-3-21(27)25-19/h4-5,9-12,17H,2-3,6-8H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyJLEPAWFWJUFHPA-QGZVFWFLSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-5-methylpyridine-3-carboxamide
CID 138470430
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide
CID 153380256
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-[3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]propoxy]-5-methoxy-4-methylbenzamide
CID 166016629
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
5-[(6-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 138028565
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]pyridine-2-carboxamide
CID 134369563
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenyl)acetamide
CID 134369574
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95908034
N-[3-[5-[[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-methylphenoxy]propyl]-N'-[2-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-3,3-dimethylbutylidene]hexanediamide
CID 153380199
2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
2-(4-phenylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 3697667

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide (CID 138470421) is 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide is Cc1cc(Cl)nc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1.
What is the InChIKey of 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide?
The InChIKey is JLEPAWFWJUFHPA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-13-9-18(24-20(23)10-13)22(28)26-17-7-6-14-4-5-15(11-16(14)17)19-12-27-8-2-3-21(27)25-19/h4-5,9-12,17H,2-3,6-8H2,1H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide?
6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 138470421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).