N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine

C22H30FN5 — CID 71165874

IUPACN-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine
SMILESCC1C=C(C2=C(c3ccc(F)cc3)NNC2(C)NC2CCN(C)CC2)C=CN1
InChIInChI=1S/C22H30FN5/c1-15-14-17(8-11-24-15)20-21(16-4-6-18(23)7-5-16)26-27-22(20,2)25-19-9-12-28(3)13-10-19/h4-8,11,14-15,19,24-27H,9-10,12-13H2,1-3H3
InChIKeySHWFYKFMHRLUNO-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.48
Rot. Bonds4

About N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine

N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine (PubChem CID 71165874) has the molecular formula C22H30FN5 and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine
PubChem CID71165874
Molecular FormulaC22H30FN5
Molecular Weight383.51 g/mol
Exact Mass383.25
IUPAC NameN-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine
SMILESCC1C=C(C2=C(c3ccc(F)cc3)NNC2(C)NC2CCN(C)CC2)C=CN1
InChIInChI=1S/C22H30FN5/c1-15-14-17(8-11-24-15)20-21(16-4-6-18(23)7-5-16)26-27-22(20,2)25-19-9-12-28(3)13-10-19/h4-8,11,14-15,19,24-27H,9-10,12-13H2,1-3H3
InChIKeySHWFYKFMHRLUNO-UHFFFAOYSA-N
XLogP2.48
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine (CID 71165874) is N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine is CC1C=C(C2=C(c3ccc(F)cc3)NNC2(C)NC2CCN(C)CC2)C=CN1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine?
The InChIKey is SHWFYKFMHRLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5/c1-15-14-17(8-11-24-15)20-21(16-4-6-18(23)7-5-16)26-27-22(20,2)25-19-9-12-28(3)13-10-19/h4-8,11,14-15,19,24-27H,9-10,12-13H2,1-3H3.
What are the key properties of N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine?
N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine has a molecular weight of 383.51 g/mol, XLogP of 2.48, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71165874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).