4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine

C20H24FN5 — CID 71165875

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine
SMILESCC1C=C(c2cn[nH]c2-c2ccc(F)cc2)C=C(NC2CCNCC2)N1
InChIInChI=1S/C20H24FN5/c1-13-10-15(11-19(24-13)25-17-6-8-22-9-7-17)18-12-23-26-20(18)14-2-4-16(21)5-3-14/h2-5,10-13,17,22,24-25H,6-9H2,1H3,(H,23,26)
InChIKeyGNXFXLMPEROBSL-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.77
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine (PubChem CID 71165875) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine
PubChem CID71165875
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine
SMILESCC1C=C(c2cn[nH]c2-c2ccc(F)cc2)C=C(NC2CCNCC2)N1
InChIInChI=1S/C20H24FN5/c1-13-10-15(11-19(24-13)25-17-6-8-22-9-7-17)18-12-23-26-20(18)14-2-4-16(21)5-3-14/h2-5,10-13,17,22,24-25H,6-9H2,1H3,(H,23,26)
InChIKeyGNXFXLMPEROBSL-UHFFFAOYSA-N
XLogP2.77
TPSA64.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 71165917
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
CID 174409747
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
5-(4-fluorophenyl)-4-iodo-1H-pyrazole
CID 63735008
2-N-(4-fluorocyclohexa-2,4-dien-1-yl)-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-N-methylbenzene-1,2-diamine
CID 71084121
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
CID 22037701
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601337
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidin-4-amine
CID 54902966
5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119554451

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine (CID 71165875) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine is CC1C=C(c2cn[nH]c2-c2ccc(F)cc2)C=C(NC2CCNCC2)N1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine?
The InChIKey is GNXFXLMPEROBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-13-10-15(11-19(24-13)25-17-6-8-22-9-7-17)18-12-23-26-20(18)14-2-4-16(21)5-3-14/h2-5,10-13,17,22,24-25H,6-9H2,1H3,(H,23,26).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine has a molecular weight of 353.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-methyl-N-piperidin-4-yl-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 71165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).