[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H22FN3O2 — CID 39297315

IUPAC[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C23H22FN3O2/c1-29-16-11-12-19-15(14-16)6-5-13-26(19)23(28)22-17-7-4-10-20(17)27(25-22)21-9-3-2-8-18(21)24/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3
InChIKeyITATXIHRMHAGKT-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.10
Rot. Bonds3

About [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 39297315) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID39297315
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C23H22FN3O2/c1-29-16-11-12-19-15(14-16)6-5-13-26(19)23(28)22-17-7-4-10-20(17)27(25-22)21-9-3-2-8-18(21)24/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3
InChIKeyITATXIHRMHAGKT-UHFFFAOYSA-N
XLogP4.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 39297315) is [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ITATXIHRMHAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-29-16-11-12-19-15(14-16)6-5-13-26(19)23(28)22-17-7-4-10-20(17)27(25-22)21-9-3-2-8-18(21)24/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3.
What are the key properties of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 391.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 39297315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).