(3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C25H26FN3O3 — CID 58551679

IUPAC(3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1c(F)cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C(C)C
InChIInChI=1S/C25H26FN3O3/c1-16(2)29-22-17-7-4-5-10-21(17)32-25(19(22)15-27-29)11-13-28(14-12-25)24(30)18-8-6-9-20(26)23(18)31-3/h4-10,15-16H,11-14H2,1-3H3
InChIKeyWHJOIEDUDNVENC-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.80
Rot. Bonds3

About (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 58551679) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
PubChem CID58551679
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1c(F)cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C(C)C
InChIInChI=1S/C25H26FN3O3/c1-16(2)29-22-17-7-4-5-10-21(17)32-25(19(22)15-27-29)11-13-28(14-12-25)24(30)18-8-6-9-20(26)23(18)31-3/h4-10,15-16H,11-14H2,1-3H3
InChIKeyWHJOIEDUDNVENC-UHFFFAOYSA-N
XLogP4.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-2-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551510
(4-fluoro-2-methoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551550
(2,2-dimethyl-3H-1-benzofuran-4-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551437
(2-ethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551700
(2,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551037
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550915
1'-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine];2,2,2-trifluoroacetic acid
CID 171693675
2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551288
(3-methoxy-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 54670653
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 58551193
(3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550848
(3-methoxy-4-propan-2-ylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551201

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 58551679) is (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is COc1c(F)cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C(C)C.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is WHJOIEDUDNVENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-16(2)29-22-17-7-4-5-10-21(17)32-25(19(22)15-27-29)11-13-28(14-12-25)24(30)18-8-6-9-20(26)23(18)31-3/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
(3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 435.50 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-(1-propan-2-ylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 58551679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).