6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one

C20H19F4N5O2 — CID 90682477

IUPAC6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C(F)(F)F
InChIInChI=1S/C20H19F4N5O2/c1-28-18(20(22,23)24)14(10-25-28)19(31)29-6-4-12(5-7-29)26-16-9-17(30)27-15-3-2-11(21)8-13(15)16/h2-3,8-10,12H,4-7H2,1H3,(H2,26,27,30)
InChIKeySMGBGMPOHKGIJY-UHFFFAOYSA-N
MW437.40 g/mol
LogP3.14
Rot. Bonds3

About 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one

6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one (PubChem CID 90682477) has the molecular formula C20H19F4N5O2 and a molecular weight of 437.40 g/mol. Its IUPAC name is 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one
PubChem CID90682477
Molecular FormulaC20H19F4N5O2
Molecular Weight437.40 g/mol
Exact Mass437.15
IUPAC Name6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C(F)(F)F
InChIInChI=1S/C20H19F4N5O2/c1-28-18(20(22,23)24)14(10-25-28)19(31)29-6-4-12(5-7-29)26-16-9-17(30)27-15-3-2-11(21)8-13(15)16/h2-3,8-10,12H,4-7H2,1H3,(H2,26,27,30)
InChIKeySMGBGMPOHKGIJY-UHFFFAOYSA-N
XLogP3.14
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one (CID 90682477) is 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one is Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C(F)(F)F.
What is the InChIKey of 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one?
The InChIKey is SMGBGMPOHKGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O2/c1-28-18(20(22,23)24)14(10-25-28)19(31)29-6-4-12(5-7-29)26-16-9-17(30)27-15-3-2-11(21)8-13(15)16/h2-3,8-10,12H,4-7H2,1H3,(H2,26,27,30).
What are the key properties of 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one?
6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one has a molecular weight of 437.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 90682477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).