(3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C22H19F2N3O2 — CID 54670743

IUPAC(3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C22H19F2N3O2/c1-26-20-17-4-2-3-5-19(17)29-22(18(20)13-25-26)6-8-27(9-7-22)21(28)14-10-15(23)12-16(24)11-14/h2-5,10-13H,6-9H2,1H3
InChIKeyFKOWVZXNSCCHCK-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.89
Rot. Bonds1

About (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 54670743) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
PubChem CID54670743
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name(3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C22H19F2N3O2/c1-26-20-17-4-2-3-5-19(17)29-22(18(20)13-25-26)6-8-27(9-7-22)21(28)14-10-15(23)12-16(24)11-14/h2-5,10-13H,6-9H2,1H3
InChIKeyFKOWVZXNSCCHCK-UHFFFAOYSA-N
XLogP3.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 54670743) is (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is FKOWVZXNSCCHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-26-20-17-4-2-3-5-19(17)29-22(18(20)13-25-26)6-8-27(9-7-22)21(28)14-10-15(23)12-16(24)11-14/h2-5,10-13H,6-9H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
(3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 395.41 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 54670743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).