4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C19H22FN5O2 — CID 131963217

IUPAC4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)N2CC3(CCCC3)c3c(F)cccc32)cn1
InChIInChI=1S/C19H22FN5O2/c1-21-16(26)11-24-10-13(9-22-24)23-18(27)25-12-19(7-2-3-8-19)17-14(20)5-4-6-15(17)25/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,26)(H,23,27)
InChIKeyDXIOPXYXTLVOKA-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.63
Rot. Bonds3

About 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 131963217) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID131963217
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)N2CC3(CCCC3)c3c(F)cccc32)cn1
InChIInChI=1S/C19H22FN5O2/c1-21-16(26)11-24-10-13(9-22-24)23-18(27)25-12-19(7-2-3-8-19)17-14(20)5-4-6-15(17)25/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,26)(H,23,27)
InChIKeyDXIOPXYXTLVOKA-UHFFFAOYSA-N
XLogP2.63
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 131963217) is 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CNC(=O)Cn1cc(NC(=O)N2CC3(CCCC3)c3c(F)cccc32)cn1.
What is the InChIKey of 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is DXIOPXYXTLVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-21-16(26)11-24-10-13(9-22-24)23-18(27)25-12-19(7-2-3-8-19)17-14(20)5-4-6-15(17)25/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,26)(H,23,27).
What are the key properties of 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 131963217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).