6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C21H17FN6O — CID 139391757

IUPAC6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3n[nH]c(-c4ccc(-n5cccn5)cc4)c3F)ccc2N1
InChIInChI=1S/C21H17FN6O/c22-19-20(13-2-6-16(7-3-13)28-11-1-10-23-28)26-27-21(19)24-15-5-8-17-14(12-15)4-9-18(29)25-17/h1-3,5-8,10-12H,4,9H2,(H,25,29)(H2,24,26,27)
InChIKeyYAPBGONDNJGPLF-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.03
Rot. Bonds4

About 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139391757) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID139391757
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3n[nH]c(-c4ccc(-n5cccn5)cc4)c3F)ccc2N1
InChIInChI=1S/C21H17FN6O/c22-19-20(13-2-6-16(7-3-13)28-11-1-10-23-28)26-27-21(19)24-15-5-8-17-14(12-15)4-9-18(29)25-17/h1-3,5-8,10-12H,4,9H2,(H,25,29)(H2,24,26,27)
InChIKeyYAPBGONDNJGPLF-UHFFFAOYSA-N
XLogP4.03
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 139391757) is 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3n[nH]c(-c4ccc(-n5cccn5)cc4)c3F)ccc2N1.
What is the InChIKey of 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YAPBGONDNJGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-19-20(13-2-6-16(7-3-13)28-11-1-10-23-28)26-27-21(19)24-15-5-8-17-14(12-15)4-9-18(29)25-17/h1-3,5-8,10-12H,4,9H2,(H,25,29)(H2,24,26,27).
What are the key properties of 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 388.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139391757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).