(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone

C27H30FN3O4 — CID 58551812

IUPAC(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCCn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C27H30FN3O4/c1-5-31-25-20-15-19(28)7-9-22(20)35-27(21(25)16-29-31)10-12-30(13-11-27)26(32)18-6-8-23(34-17(2)3)24(14-18)33-4/h6-9,14-17H,5,10-13H2,1-4H3
InChIKeyFNKLMKZQFXEROL-UHFFFAOYSA-N
MW479.55 g/mol
LogP5.03
Rot. Bonds5

About (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone

(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 58551812) has the molecular formula C27H30FN3O4 and a molecular weight of 479.55 g/mol. Its IUPAC name is (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
PubChem CID58551812
Molecular FormulaC27H30FN3O4
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Name(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCCn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C27H30FN3O4/c1-5-31-25-20-15-19(28)7-9-22(20)35-27(21(25)16-29-31)10-12-30(13-11-27)26(32)18-6-8-23(34-17(2)3)24(14-18)33-4/h6-9,14-17H,5,10-13H2,1-4H3
InChIKeyFNKLMKZQFXEROL-UHFFFAOYSA-N
XLogP5.03
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 54670653
6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 130364196
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550915
[3-methoxy-4-(3-methylbutoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551009
5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)-2-propan-2-yloxybenzonitrile
CID 58551266
(3,4-diethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551279
(3-methoxy-4-propan-2-ylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551201
(4-fluoro-2-methoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551550
3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 119047693
1-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile
CID 58550816
(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxy-4-propoxyphenyl)methanone
CID 58551439
(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone
CID 130371312

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone (CID 58551812) is (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone is CCn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)CC1.
What is the InChIKey of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The InChIKey is FNKLMKZQFXEROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O4/c1-5-31-25-20-15-19(28)7-9-22(20)35-27(21(25)16-29-31)10-12-30(13-11-27)26(32)18-6-8-23(34-17(2)3)24(14-18)33-4/h6-9,14-17H,5,10-13H2,1-4H3.
What are the key properties of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 479.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 58551812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).