1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one

C20H26N6O2 — CID 72866625

IUPAC1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1ccnc1
InChIInChI=1S/C20H26N6O2/c1-14(25-11-7-21-13-25)18(27)24-9-5-20(6-10-24)17-16(22-12-23-17)4-8-26(20)19(28)15-2-3-15/h7,11-15H,2-6,8-10H2,1H3,(H,22,23)
InChIKeyHSVSQUCSZAIGJG-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.48
Rot. Bonds3

About 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one

1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 72866625) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID72866625
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1ccnc1
InChIInChI=1S/C20H26N6O2/c1-14(25-11-7-21-13-25)18(27)24-9-5-20(6-10-24)17-16(22-12-23-17)4-8-26(20)19(28)15-2-3-15/h7,11-15H,2-6,8-10H2,1H3,(H,22,23)
InChIKeyHSVSQUCSZAIGJG-UHFFFAOYSA-N
XLogP1.48
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one (CID 72866625) is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one is CC(C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1ccnc1.
What is the InChIKey of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is HSVSQUCSZAIGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14(25-11-7-21-13-25)18(27)24-9-5-20(6-10-24)17-16(22-12-23-17)4-8-26(20)19(28)15-2-3-15/h7,11-15H,2-6,8-10H2,1H3,(H,22,23).
What are the key properties of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one?
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 382.47 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 72866625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).