(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]

C21H23FN2 — CID 58713709

IUPAC(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]
SMILESC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21CCCC1
InChIInChI=1S/C21H23FN2/c1-20-13-15-14-23-24(18-6-4-17(22)5-7-18)19(15)12-16(20)8-11-21(20)9-2-3-10-21/h4-7,12,14H,2-3,8-11,13H2,1H3/t20-/m0/s1
InChIKeyUKYWYXCHOCKQLF-FQEVSTJZSA-N
MW322.43 g/mol
LogP5.31
Rot. Bonds1

About (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]

(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane] (PubChem CID 58713709) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane].

Molecular Properties

Compound Name(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]
PubChem CID58713709
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]
SMILESC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21CCCC1
InChIInChI=1S/C21H23FN2/c1-20-13-15-14-23-24(18-6-4-17(22)5-7-18)19(15)12-16(20)8-11-21(20)9-2-3-10-21/h4-7,12,14H,2-3,8-11,13H2,1H3/t20-/m0/s1
InChIKeyUKYWYXCHOCKQLF-FQEVSTJZSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]?
The IUPAC name of (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane] (CID 58713709) is (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane].
What is the SMILES notation for (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]?
The canonical SMILES for (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane] is C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21CCCC1.
What is the InChIKey of (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]?
The InChIKey is UKYWYXCHOCKQLF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23FN2/c1-20-13-15-14-23-24(18-6-4-17(22)5-7-18)19(15)12-16(20)8-11-21(20)9-2-3-10-21/h4-7,12,14H,2-3,8-11,13H2,1H3/t20-/m0/s1.
What are the key properties of (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]?
(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane] has a molecular weight of 322.43 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane] is sourced from PubChem (CID 58713709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).