[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

C21H25ClN4O — CID 72911933

IUPAC[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C21H25ClN4O/c22-17-3-1-2-15(12-17)13-25-10-7-21(8-11-25)19-18(23-14-24-19)6-9-26(21)20(27)16-4-5-16/h1-3,12,14,16H,4-11,13H2,(H,23,24)
InChIKeySKKDTJREQKNAIV-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.35
Rot. Bonds3

About [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (PubChem CID 72911933) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
PubChem CID72911933
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C21H25ClN4O/c22-17-3-1-2-15(12-17)13-25-10-7-21(8-11-25)19-18(23-14-24-19)6-9-26(21)20(27)16-4-5-16/h1-3,12,14,16H,4-11,13H2,(H,23,24)
InChIKeySKKDTJREQKNAIV-UHFFFAOYSA-N
XLogP3.35
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The IUPAC name of [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (CID 72911933) is [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The canonical SMILES for [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The InChIKey is SKKDTJREQKNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c22-17-3-1-2-15(12-17)13-25-10-7-21(8-11-25)19-18(23-14-24-19)6-9-26(21)20(27)16-4-5-16/h1-3,12,14,16H,4-11,13H2,(H,23,24).
What are the key properties of [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone has a molecular weight of 384.91 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 72911933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).