4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

C31H28F3N7O3S2 — CID 58575834

IUPAC4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCC(C)c1nc(-c2ccnc(CS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3cnc(N4CCOCC4)c(F)c3)n2)s1
InChIInChI=1S/C31H28F3N7O3S2/c1-18(2)30-40-26(19-6-8-35-21(14-19)17-46(42,43)28-22(32)4-3-5-23(28)33)27(45-30)25-7-9-36-31(39-25)38-20-15-24(34)29(37-16-20)41-10-12-44-13-11-41/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,36,38,39)
InChIKeyOTQBUZNHPCOJBG-UHFFFAOYSA-N
MW667.74 g/mol
LogP6.15
Rot. Bonds9

About 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 58575834) has the molecular formula C31H28F3N7O3S2 and a molecular weight of 667.74 g/mol. Its IUPAC name is 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID58575834
Molecular FormulaC31H28F3N7O3S2
Molecular Weight667.74 g/mol
Exact Mass667.16
IUPAC Name4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCC(C)c1nc(-c2ccnc(CS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3cnc(N4CCOCC4)c(F)c3)n2)s1
InChIInChI=1S/C31H28F3N7O3S2/c1-18(2)30-40-26(19-6-8-35-21(14-19)17-46(42,43)28-22(32)4-3-5-23(28)33)27(45-30)25-7-9-36-31(39-25)38-20-15-24(34)29(37-16-20)41-10-12-44-13-11-41/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,36,38,39)
InChIKeyOTQBUZNHPCOJBG-UHFFFAOYSA-N
XLogP6.15
TPSA123.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500667.74
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
2,6-Difluoro-N-{2-fluoro-5-[2-(1-methylethyl)-5-(2-{[6-(4-morpholinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 46927672
2,6-Bis(Fluoranyl)-N-[3-[5-[2-[(3-Methylsulfonylphenyl)amino]pyrimidin-4-Yl]-2-Morpholin-4-Yl-1,3-Thiazol-4-Yl]phenyl]benzenesulfonamide
CID 91971264
5-(6-(3-(Methylsulfonyl)phenyl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 46865531
N-{3-[5-(2-{[6-(4-Acetyl-1-piperazinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-2-fluorobenzenesulfonamide
CID 46927522
N-{3-[5-(2-{[6-(4-Acetyl-1-piperazinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-3-fluorobenzenesulfonamide
CID 56659673
N-[3-[5-[2-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2,5-difluorobenzenesulfonamide
CID 56659674
2,6-difluoro-N-[3-fluoro-5-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 56663136
B-Raf IN 18
CID 56673516
4-[2-(1-methylpiperidin-4-yl)-4-(3-methylsulfonylphenyl)-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145990035
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979398

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 58575834) is 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is CC(C)c1nc(-c2ccnc(CS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3cnc(N4CCOCC4)c(F)c3)n2)s1.
What is the InChIKey of 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is OTQBUZNHPCOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N7O3S2/c1-18(2)30-40-26(19-6-8-35-21(14-19)17-46(42,43)28-22(32)4-3-5-23(28)33)27(45-30)25-7-9-36-31(39-25)38-20-15-24(34)29(37-16-20)41-10-12-44-13-11-41/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,36,38,39).
What are the key properties of 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 667.74 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 58575834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).