(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

C19H17F4N7O — CID 159755143

IUPAC(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc(N3C[C@H](O)[C@@H](F)C3)n2)ccn1
InChIInChI=1S/C19H17F4N7O/c1-10-7-11(5-6-24-10)25-17-27-16(13-3-2-4-15(26-13)19(21,22)23)28-18(29-17)30-8-12(20)14(31)9-30/h2-7,12,14,31H,8-9H2,1H3,(H,24,25,27,28,29)/t12-,14-/m0/s1
InChIKeyTYJOMYOUEZCAGA-JSGCOSHPSA-N
MW435.39 g/mol
LogP2.92
Rot. Bonds4

About (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 159755143) has the molecular formula C19H17F4N7O and a molecular weight of 435.39 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID159755143
Molecular FormulaC19H17F4N7O
Molecular Weight435.39 g/mol
Exact Mass435.14
IUPAC Name(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc(N3C[C@H](O)[C@@H](F)C3)n2)ccn1
InChIInChI=1S/C19H17F4N7O/c1-10-7-11(5-6-24-10)25-17-27-16(13-3-2-4-15(26-13)19(21,22)23)28-18(29-17)30-8-12(20)14(31)9-30/h2-7,12,14,31H,8-9H2,1H3,(H,24,25,27,28,29)/t12-,14-/m0/s1
InChIKeyTYJOMYOUEZCAGA-JSGCOSHPSA-N
XLogP2.92
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol 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

2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol
CID 134197873
4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 161363969
N-(2-methyl-4-pyridinyl)-4-piperidin-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 145445505
4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 158035998
1,1,1,3,3,3-hexadeuterio-2-[dideuterio-[[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
CID 129060702
[(3S)-3-(trifluoromethyl)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl] methanesulfonate
CID 175179322
2-N-(1-methylcyclobutyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264106
4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 122677415
1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]cyclopentan-1-ol
CID 175798155
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
2-methyl-1-[methyl-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 122677416
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 126550728

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 159755143) is (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is Cc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc(N3C[C@H](O)[C@@H](F)C3)n2)ccn1.
What is the InChIKey of (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is TYJOMYOUEZCAGA-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H17F4N7O/c1-10-7-11(5-6-24-10)25-17-27-16(13-3-2-4-15(26-13)19(21,22)23)28-18(29-17)30-8-12(20)14(31)9-30/h2-7,12,14,31H,8-9H2,1H3,(H,24,25,27,28,29)/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 435.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 159755143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).