7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide

C20H22FN5O — CID 126766818

IUPAC7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C20H22FN5O/c1-13-18(8-14-5-6-15(21)9-19(14)23-13)20(27)24-16-4-3-7-26(11-16)17-10-22-25(2)12-17/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3,(H,24,27)
InChIKeyPPUOKIOWIBWFRF-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.81
Rot. Bonds3

About 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide

7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 126766818) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
PubChem CID126766818
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C20H22FN5O/c1-13-18(8-14-5-6-15(21)9-19(14)23-13)20(27)24-16-4-3-7-26(11-16)17-10-22-25(2)12-17/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3,(H,24,27)
InChIKeyPPUOKIOWIBWFRF-UHFFFAOYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide (CID 126766818) is 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is PPUOKIOWIBWFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13-18(8-14-5-6-15(21)9-19(14)23-13)20(27)24-16-4-3-7-26(11-16)17-10-22-25(2)12-17/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3,(H,24,27).
What are the key properties of 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide?
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 126766818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).