5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine

C26H34FN5 — CID 123822097

IUPAC5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine
SMILESCCN1CCC(n2cc(-c3cnc(N)c(CC(C)c4c(C)ccc(F)c4C)c3)cn2)CC1
InChIInChI=1S/C26H34FN5/c1-5-31-10-8-23(9-11-31)32-16-22(15-30-32)21-13-20(26(28)29-14-21)12-18(3)25-17(2)6-7-24(27)19(25)4/h6-7,13-16,18,23H,5,8-12H2,1-4H3,(H2,28,29)
InChIKeyNASZDWUQVIHIAZ-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.29
Rot. Bonds6

About 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine

5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine (PubChem CID 123822097) has the molecular formula C26H34FN5 and a molecular weight of 435.59 g/mol. Its IUPAC name is 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine
PubChem CID123822097
Molecular FormulaC26H34FN5
Molecular Weight435.59 g/mol
Exact Mass435.28
IUPAC Name5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine
SMILESCCN1CCC(n2cc(-c3cnc(N)c(CC(C)c4c(C)ccc(F)c4C)c3)cn2)CC1
InChIInChI=1S/C26H34FN5/c1-5-31-10-8-23(9-11-31)32-16-22(15-30-32)21-13-20(26(28)29-14-21)12-18(3)25-17(2)6-7-24(27)19(25)4/h6-7,13-16,18,23H,5,8-12H2,1-4H3,(H2,28,29)
InChIKeyNASZDWUQVIHIAZ-UHFFFAOYSA-N
XLogP5.29
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine with MolForge

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Related Compounds

3-[1-(3-fluoro-2,6-dimethylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72679528
2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 159035196
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-pentylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 72944398
2-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetaldehyde
CID 172510212
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;ethane;propane
CID 155591061
2-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanesulfonamide
CID 86270489
2-[4-[4-[6-amino-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-N-methylethanesulfonamide
CID 86267254
3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine
CID 144556507
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146424750
3-[1-(2-chloro-3,5-difluorophenyl)ethylsulfanyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 66549132
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180078
1-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 126710572

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine?
The IUPAC name of 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine (CID 123822097) is 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine?
The canonical SMILES for 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine is CCN1CCC(n2cc(-c3cnc(N)c(CC(C)c4c(C)ccc(F)c4C)c3)cn2)CC1.
What is the InChIKey of 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine?
The InChIKey is NASZDWUQVIHIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5/c1-5-31-10-8-23(9-11-31)32-16-22(15-30-32)21-13-20(26(28)29-14-21)12-18(3)25-17(2)6-7-24(27)19(25)4/h6-7,13-16,18,23H,5,8-12H2,1-4H3,(H2,28,29).
What are the key properties of 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine?
5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine has a molecular weight of 435.59 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine is sourced from PubChem (CID 123822097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).