2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile

C22H26N6O — CID 72868271

IUPAC2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc1C
InChIInChI=1S/C22H26N6O/c1-14-11-17(12-23)20(26-15(14)2)27-9-6-22(7-10-27)19-18(24-13-25-19)5-8-28(22)21(29)16-3-4-16/h11,13,16H,3-10H2,1-2H3,(H,24,25)
InChIKeyGNJFWIPPZUKBNS-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.58
Rot. Bonds2

About 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile

2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 72868271) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile
PubChem CID72868271
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc1C
InChIInChI=1S/C22H26N6O/c1-14-11-17(12-23)20(26-15(14)2)27-9-6-22(7-10-27)19-18(24-13-25-19)5-8-28(22)21(29)16-3-4-16/h11,13,16H,3-10H2,1-2H3,(H,24,25)
InChIKeyGNJFWIPPZUKBNS-UHFFFAOYSA-N
XLogP2.58
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile (CID 72868271) is 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile is Cc1cc(C#N)c(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc1C.
What is the InChIKey of 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GNJFWIPPZUKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-11-17(12-23)20(26-15(14)2)27-9-6-22(7-10-27)19-18(24-13-25-19)5-8-28(22)21(29)16-3-4-16/h11,13,16H,3-10H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile?
2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 390.49 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 72868271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).