4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine

C14H17F3N6 — CID 166793460

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
SMILESCNC1CCN(c2cc(N)nc(-c3cnn(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C14H17F3N6/c1-19-10-2-3-22(8-10)11-4-12(21-13(18)5-11)9-6-20-23(7-9)14(15,16)17/h4-7,10,19H,2-3,8H2,1H3,(H2,18,21)
InChIKeyHYFGYWNJAMMTKA-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.80
Rot. Bonds3

About 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine

4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 166793460) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
PubChem CID166793460
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
SMILESCNC1CCN(c2cc(N)nc(-c3cnn(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C14H17F3N6/c1-19-10-2-3-22(8-10)11-4-12(21-13(18)5-11)9-6-20-23(7-9)14(15,16)17/h4-7,10,19H,2-3,8H2,1H3,(H2,18,21)
InChIKeyHYFGYWNJAMMTKA-UHFFFAOYSA-N
XLogP1.80
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 25095032
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 159912281
4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 166492532
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
CID 11280824
3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol
CID 11176891
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine;trihydrochloride
CID 11258778
N-methyl-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-amine;hydrochloride
CID 163302339
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate
CID 166758946
4-[5-(difluoromethyl)-1H-pyrazol-3-yl]-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 146487020

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine (CID 166793460) is 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine is CNC1CCN(c2cc(N)nc(-c3cnn(C(F)(F)F)c3)c2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is HYFGYWNJAMMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-19-10-2-3-22(8-10)11-4-12(21-13(18)5-11)9-6-20-23(7-9)14(15,16)17/h4-7,10,19H,2-3,8H2,1H3,(H2,18,21).
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 326.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 166793460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).