N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine

C22H30FN5 — CID 178157089

IUPACN-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine
SMILESC=C(C)c1nn(-c2ccc(N3CCC(N(C)C4CC(F)C4)CC3)cn2)cc1C
InChIInChI=1S/C22H30FN5/c1-15(2)22-16(3)14-28(25-22)21-6-5-19(13-24-21)27-9-7-18(8-10-27)26(4)20-11-17(23)12-20/h5-6,13-14,17-18,20H,1,7-12H2,2-4H3
InChIKeyRJADYMFQIQNUEB-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.01
Rot. Bonds5

About N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine

N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine (PubChem CID 178157089) has the molecular formula C22H30FN5 and a molecular weight of 383.52 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine
PubChem CID178157089
Molecular FormulaC22H30FN5
Molecular Weight383.52 g/mol
Exact Mass383.25
IUPAC NameN-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine
SMILESC=C(C)c1nn(-c2ccc(N3CCC(N(C)C4CC(F)C4)CC3)cn2)cc1C
InChIInChI=1S/C22H30FN5/c1-15(2)22-16(3)14-28(25-22)21-6-5-19(13-24-21)27-9-7-18(8-10-27)26(4)20-11-17(23)12-20/h5-6,13-14,17-18,20H,1,7-12H2,2-4H3
InChIKeyRJADYMFQIQNUEB-UHFFFAOYSA-N
XLogP4.01
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[4-ethyl-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-1-yl]-3-pyridinyl]-N-methyl-N-(oxetan-3-yl)piperidin-4-amine
CID 178157126
1-[5-[4-ethyl-3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyrazol-1-yl]-2-pyridinyl]-N-(3-fluorocyclobutyl)piperidin-4-amine
CID 178156800
4-fluoro-1-(6-methyl-3-pyridinyl)piperidin-3-ol
CID 172576145
CID 176921147
CID 176921147
N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]propanamide
CID 171326504
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine
CID 153422507
6-(3-fluoropyrrolidin-1-yl)-2-prop-1-en-2-ylimidazo[1,2-a]pyridine
CID 142598087
8-[(1Z)-buta-1,3-dienyl]-2-[6-[3-(3-fluoroazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-7-methyl-5,6-dihydro-4H-cyclohepta[c]pyrazole
CID 178157037
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 166238411

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine?
The IUPAC name of N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine (CID 178157089) is N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine is C=C(C)c1nn(-c2ccc(N3CCC(N(C)C4CC(F)C4)CC3)cn2)cc1C.
What is the InChIKey of N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine?
The InChIKey is RJADYMFQIQNUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5/c1-15(2)22-16(3)14-28(25-22)21-6-5-19(13-24-21)27-9-7-18(8-10-27)26(4)20-11-17(23)12-20/h5-6,13-14,17-18,20H,1,7-12H2,2-4H3.
What are the key properties of N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine?
N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine has a molecular weight of 383.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-N-methyl-1-[6-(4-methyl-3-prop-1-en-2-ylpyrazol-1-yl)-3-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 178157089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).