6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C20H20F3N5O — CID 72550933

IUPAC6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCn1cc(-c2cc(C3CCOCC3)cc(Nc3cc(C(F)(F)F)ccn3)n2)cn1
InChIInChI=1S/C20H20F3N5O/c1-28-12-15(11-25-28)17-8-14(13-3-6-29-7-4-13)9-19(26-17)27-18-10-16(2-5-24-18)20(21,22)23/h2,5,8-13H,3-4,6-7H2,1H3,(H,24,26,27)
InChIKeyKPQLCDLTWHKSCH-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.53
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 72550933) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID72550933
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCn1cc(-c2cc(C3CCOCC3)cc(Nc3cc(C(F)(F)F)ccn3)n2)cn1
InChIInChI=1S/C20H20F3N5O/c1-28-12-15(11-25-28)17-8-14(13-3-6-29-7-4-13)9-19(26-17)27-18-10-16(2-5-24-18)20(21,22)23/h2,5,8-13H,3-4,6-7H2,1H3,(H,24,26,27)
InChIKeyKPQLCDLTWHKSCH-UHFFFAOYSA-N
XLogP4.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{5-[1-(Oxetan-3-Yl)piperidin-4-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 78318990
(S)-1-(6-(3-methylpiperazin-1-yl)pyridin-2-yl)-6-(5-(oxetan-3-yl)pyridin-3-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715135
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
N-(oxan-4-yl)-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
CID 46899554
6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 86766622
5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155532244
Arylpyrazole, 24
CID 44143424
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
CID 155553415
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-phenylpyridin-2-amine
CID 10177802
N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 10294033
2-methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-5-(tetrahydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyrimidine
CID 71270906

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 72550933) is 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cn1cc(-c2cc(C3CCOCC3)cc(Nc3cc(C(F)(F)F)ccn3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is KPQLCDLTWHKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-28-12-15(11-25-28)17-8-14(13-3-6-29-7-4-13)9-19(26-17)27-18-10-16(2-5-24-18)20(21,22)23/h2,5,8-13H,3-4,6-7H2,1H3,(H,24,26,27).
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 403.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 72550933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).