(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C21H16FN5O — CID 95871596

IUPAC(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@H](Nc2cc(-c3ccccc3F)nc3ccnn23)c2ccccc2N1
InChIInChI=1S/C21H16FN5O/c22-15-7-3-1-5-13(15)17-11-20(27-19(24-17)9-10-23-27)25-18-12-21(28)26-16-8-4-2-6-14(16)18/h1-11,18,25H,12H2,(H,26,28)/t18-/m0/s1
InChIKeyUCOFBIALKDIIPW-SFHVURJKSA-N
MW373.39 g/mol
LogP4.03
Rot. Bonds3

About (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one

(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95871596) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95871596
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@H](Nc2cc(-c3ccccc3F)nc3ccnn23)c2ccccc2N1
InChIInChI=1S/C21H16FN5O/c22-15-7-3-1-5-13(15)17-11-20(27-19(24-17)9-10-23-27)25-18-12-21(28)26-16-8-4-2-6-14(16)18/h1-11,18,25H,12H2,(H,26,28)/t18-/m0/s1
InChIKeyUCOFBIALKDIIPW-SFHVURJKSA-N
XLogP4.03
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 95871596) is (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@H](Nc2cc(-c3ccccc3F)nc3ccnn23)c2ccccc2N1.
What is the InChIKey of (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UCOFBIALKDIIPW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-15-7-3-1-5-13(15)17-11-20(27-19(24-17)9-10-23-27)25-18-12-21(28)26-16-8-4-2-6-14(16)18/h1-11,18,25H,12H2,(H,26,28)/t18-/m0/s1.
What are the key properties of (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 373.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95871596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).