[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

C17H22F2N6O — CID 72901157

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C(F)F)n1)CC2
InChIInChI=1S/C17H22F2N6O/c1-2-24-7-3-12-14(21-11-20-12)17(24)5-9-23(10-6-17)15(26)13-4-8-25(22-13)16(18)19/h4,8,11,16H,2-3,5-7,9-10H2,1H3,(H,20,21)
InChIKeyQTBAJEUSGFJIDN-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.01
Rot. Bonds3

About [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 72901157) has the molecular formula C17H22F2N6O and a molecular weight of 364.40 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
PubChem CID72901157
Molecular FormulaC17H22F2N6O
Molecular Weight364.40 g/mol
Exact Mass364.18
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C(F)F)n1)CC2
InChIInChI=1S/C17H22F2N6O/c1-2-24-7-3-12-14(21-11-20-12)17(24)5-9-23(10-6-17)15(26)13-4-8-25(22-13)16(18)19/h4,8,11,16H,2-3,5-7,9-10H2,1H3,(H,20,21)
InChIKeyQTBAJEUSGFJIDN-UHFFFAOYSA-N
XLogP2.01
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (CID 72901157) is [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C(F)F)n1)CC2.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is QTBAJEUSGFJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O/c1-2-24-7-3-12-14(21-11-20-12)17(24)5-9-23(10-6-17)15(26)13-4-8-25(22-13)16(18)19/h4,8,11,16H,2-3,5-7,9-10H2,1H3,(H,20,21).
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 364.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 72901157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).