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

C22H21ClN4O — CID 138470430

IUPAC2-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
SMILESCc1cnc(Cl)c(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1
InChIInChI=1S/C22H21ClN4O/c1-13-9-17(21(23)24-11-13)22(28)26-18-7-6-14-4-5-15(10-16(14)18)19-12-27-8-2-3-20(27)25-19/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyKOKZZJAMDJWEFM-GOSISDBHSA-N
MW392.89 g/mol
LogP4.27
Rot. Bonds3

About 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

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 (PubChem CID 138470430) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID138470430
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name2-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
SMILESCc1cnc(Cl)c(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1
InChIInChI=1S/C22H21ClN4O/c1-13-9-17(21(23)24-11-13)22(28)26-18-7-6-14-4-5-15(10-16(14)18)19-12-27-8-2-3-20(27)25-19/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyKOKZZJAMDJWEFM-GOSISDBHSA-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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(Cl)c(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1.
What is the InChIKey of 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?
The InChIKey is KOKZZJAMDJWEFM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-13-9-17(21(23)24-11-13)22(28)26-18-7-6-14-4-5-15(10-16(14)18)19-12-27-8-2-3-20(27)25-19/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 138470430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).