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

C22H22N4O — CID 138470404

IUPACN-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccn1
InChIInChI=1S/C22H22N4O/c1-14-11-17(8-9-23-14)22(27)25-19-7-6-15-4-5-16(12-18(15)19)20-13-26-10-2-3-21(26)24-20/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyYKUGUWMZBHIDFR-LJQANCHMSA-N
MW358.45 g/mol
LogP3.62
Rot. Bonds3

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

N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (PubChem CID 138470404) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
PubChem CID138470404
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccn1
InChIInChI=1S/C22H22N4O/c1-14-11-17(8-9-23-14)22(27)25-19-7-6-15-4-5-16(12-18(15)19)20-13-26-10-2-3-21(26)24-20/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyYKUGUWMZBHIDFR-LJQANCHMSA-N
XLogP3.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (CID 138470404) is N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccn1.
What is the InChIKey of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is YKUGUWMZBHIDFR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-11-17(8-9-23-14)22(27)25-19-7-6-15-4-5-16(12-18(15)19)20-13-26-10-2-3-21(26)24-20/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 138470404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).