[2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C24H21F4N3O4 — CID 58551002

IUPAC[2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)F)cc2OC(F)F)CC1
InChIInChI=1S/C24H21F4N3O4/c1-30-20-15-4-2-3-5-18(15)35-24(17(20)13-29-30)8-10-31(11-9-24)21(32)16-7-6-14(33-22(25)26)12-19(16)34-23(27)28/h2-7,12-13,22-23H,8-11H2,1H3
InChIKeyWHVHGBJPUVTKSP-UHFFFAOYSA-N
MW491.44 g/mol
LogP4.81
Rot. Bonds5

About [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

[2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 58551002) has the molecular formula C24H21F4N3O4 and a molecular weight of 491.44 g/mol. Its IUPAC name is [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
PubChem CID58551002
Molecular FormulaC24H21F4N3O4
Molecular Weight491.44 g/mol
Exact Mass491.15
IUPAC Name[2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)F)cc2OC(F)F)CC1
InChIInChI=1S/C24H21F4N3O4/c1-30-20-15-4-2-3-5-18(15)35-24(17(20)13-29-30)8-10-31(11-9-24)21(32)16-7-6-14(33-22(25)26)12-19(16)34-23(27)28/h2-7,12-13,22-23H,8-11H2,1H3
InChIKeyWHVHGBJPUVTKSP-UHFFFAOYSA-N
XLogP4.81
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 58551002) is [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)F)cc2OC(F)F)CC1.
What is the InChIKey of [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is WHVHGBJPUVTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O4/c1-30-20-15-4-2-3-5-18(15)35-24(17(20)13-29-30)8-10-31(11-9-24)21(32)16-7-6-14(33-22(25)26)12-19(16)34-23(27)28/h2-7,12-13,22-23H,8-11H2,1H3.
What are the key properties of [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
[2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 491.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 58551002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).