(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone

C20H19FN4O — CID 127839931

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc21
InChIInChI=1S/C20H19FN4O/c1-24-17-11-13(7-8-15(17)22-23-24)19(26)25-12-20(9-2-3-10-20)18-14(21)5-4-6-16(18)25/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyBCVJHZAJCNADPQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.58
Rot. Bonds1

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone (PubChem CID 127839931) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone
PubChem CID127839931
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc21
InChIInChI=1S/C20H19FN4O/c1-24-17-11-13(7-8-15(17)22-23-24)19(26)25-12-20(9-2-3-10-20)18-14(21)5-4-6-16(18)25/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyBCVJHZAJCNADPQ-UHFFFAOYSA-N
XLogP3.58
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone (CID 127839931) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone is Cn1nnc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone?
The InChIKey is BCVJHZAJCNADPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-24-17-11-13(7-8-15(17)22-23-24)19(26)25-12-20(9-2-3-10-20)18-14(21)5-4-6-16(18)25/h4-8,11H,2-3,9-10,12H2,1H3.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 127839931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).