7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C17H20FN5O — CID 125143123

IUPAC7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCn1nncc1CNC(=O)N1CC2(CCCC2)c2cccc(F)c21
InChIInChI=1S/C17H20FN5O/c1-22-12(10-20-21-22)9-19-16(24)23-11-17(7-2-3-8-17)13-5-4-6-14(18)15(13)23/h4-6,10H,2-3,7-9,11H2,1H3,(H,19,24)
InChIKeyBIORCAOOPIQCSB-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.50
Rot. Bonds2

About 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 125143123) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID125143123
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCn1nncc1CNC(=O)N1CC2(CCCC2)c2cccc(F)c21
InChIInChI=1S/C17H20FN5O/c1-22-12(10-20-21-22)9-19-16(24)23-11-17(7-2-3-8-17)13-5-4-6-14(18)15(13)23/h4-6,10H,2-3,7-9,11H2,1H3,(H,19,24)
InChIKeyBIORCAOOPIQCSB-UHFFFAOYSA-N
XLogP2.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 125143123) is 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is Cn1nncc1CNC(=O)N1CC2(CCCC2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is BIORCAOOPIQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-22-12(10-20-21-22)9-19-16(24)23-11-17(7-2-3-8-17)13-5-4-6-14(18)15(13)23/h4-6,10H,2-3,7-9,11H2,1H3,(H,19,24).
What are the key properties of 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3-methyltriazol-4-yl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 125143123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).