6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one

C19H22FN5O2 — CID 166516924

IUPAC6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one
SMILESCc1cc(NCC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)n[nH]1
InChIInChI=1S/C19H22FN5O2/c1-12-8-17(24-23-12)21-11-18(27)25-6-4-19(5-7-25)10-16(26)14-9-13(20)2-3-15(14)22-19/h2-3,8-9,22H,4-7,10-11H2,1H3,(H2,21,23,24)
InChIKeyKYHAGNJHUUDBQH-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.33
Rot. Bonds3

About 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one

6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one (PubChem CID 166516924) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one
PubChem CID166516924
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one
SMILESCc1cc(NCC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)n[nH]1
InChIInChI=1S/C19H22FN5O2/c1-12-8-17(24-23-12)21-11-18(27)25-6-4-19(5-7-25)10-16(26)14-9-13(20)2-3-15(14)22-19/h2-3,8-9,22H,4-7,10-11H2,1H3,(H2,21,23,24)
InChIKeyKYHAGNJHUUDBQH-UHFFFAOYSA-N
XLogP2.33
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

6-[4-(2-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11339214
N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 70654866
3-fluoro-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91887839
N-((1-methylpiperidin-4-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910419
2-(4-methylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135965961
2,5-difluoro-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]benzamide
CID 91887787
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91887868
4-((1-(2-((3-methyl-1H-pyrazol-5-yl)amino)-2-oxoethyl)-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-phenethylcyclohexanecarboxamide
CID 18559170
1-(2,4-difluorobenzoyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperazine
CID 75527354
3-fluoro-4-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]benzamide
CID 75528488
3-(dimethylamino)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
CID 75528502
3-fluoro-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]benzamide
CID 91887750

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one?
The IUPAC name of 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one (CID 166516924) is 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one is Cc1cc(NCC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)n[nH]1.
What is the InChIKey of 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one?
The InChIKey is KYHAGNJHUUDBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12-8-17(24-23-12)21-11-18(27)25-6-4-19(5-7-25)10-16(26)14-9-13(20)2-3-15(14)22-19/h2-3,8-9,22H,4-7,10-11H2,1H3,(H2,21,23,24).
What are the key properties of 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one?
6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one has a molecular weight of 371.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 166516924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).