4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one

C19H18ClF2N5O2 — CID 90644463

IUPAC4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1Cl
InChIInChI=1S/C19H18ClF2N5O2/c1-26-18(20)12(9-23-26)19(29)27-4-2-10(3-5-27)24-16-8-17(28)25-15-7-14(22)13(21)6-11(15)16/h6-10H,2-5H2,1H3,(H2,24,25,28)
InChIKeyCMHZDKUUIPYIMT-UHFFFAOYSA-N
MW421.84 g/mol
LogP2.91
Rot. Bonds3

About 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one

4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one (PubChem CID 90644463) has the molecular formula C19H18ClF2N5O2 and a molecular weight of 421.84 g/mol. Its IUPAC name is 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
PubChem CID90644463
Molecular FormulaC19H18ClF2N5O2
Molecular Weight421.84 g/mol
Exact Mass421.11
IUPAC Name4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1Cl
InChIInChI=1S/C19H18ClF2N5O2/c1-26-18(20)12(9-23-26)19(29)27-4-2-10(3-5-27)24-16-8-17(28)25-15-7-14(22)13(21)6-11(15)16/h6-10H,2-5H2,1H3,(H2,24,25,28)
InChIKeyCMHZDKUUIPYIMT-UHFFFAOYSA-N
XLogP2.91
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one (CID 90644463) is 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one is Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1Cl.
What is the InChIKey of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
The InChIKey is CMHZDKUUIPYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N5O2/c1-26-18(20)12(9-23-26)19(29)27-4-2-10(3-5-27)24-16-8-17(28)25-15-7-14(22)13(21)6-11(15)16/h6-10H,2-5H2,1H3,(H2,24,25,28).
What are the key properties of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one has a molecular weight of 421.84 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 90644463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).