(6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one

C25H23F3N8O2S2 — CID 144984255

IUPAC(6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)C(=O)C[C@@H](C)N4c4ncc(C(F)(F)F)cn4)cn3)n2)s1
InChIInChI=1S/C25H23F3N8O2S2/c1-12-7-19(37)14(3)36(35(12)23-30-9-17(10-31-23)25(26,27)28)22(38)16-5-6-20(29-8-16)34-24-33-18(11-39-24)21-13(2)32-15(4)40-21/h5-6,8-12,14H,7H2,1-4H3,(H,29,33,34)/t12-,14?/m1/s1
InChIKeyCVDLQQBMKWMXBJ-PUODRLBUSA-N
MW588.64 g/mol
LogP5.44
Rot. Bonds5

About (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one

(6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one (PubChem CID 144984255) has the molecular formula C25H23F3N8O2S2 and a molecular weight of 588.64 g/mol. Its IUPAC name is (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one.

Molecular Properties

Compound Name(6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one
PubChem CID144984255
Molecular FormulaC25H23F3N8O2S2
Molecular Weight588.64 g/mol
Exact Mass588.13
IUPAC Name(6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)C(=O)C[C@@H](C)N4c4ncc(C(F)(F)F)cn4)cn3)n2)s1
InChIInChI=1S/C25H23F3N8O2S2/c1-12-7-19(37)14(3)36(35(12)23-30-9-17(10-31-23)25(26,27)28)22(38)16-5-6-20(29-8-16)34-24-33-18(11-39-24)21-13(2)32-15(4)40-21/h5-6,8-12,14H,7H2,1-4H3,(H,29,33,34)/t12-,14?/m1/s1
InChIKeyCVDLQQBMKWMXBJ-PUODRLBUSA-N
XLogP5.44
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.64
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one?
The IUPAC name of (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one (CID 144984255) is (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one.
What is the SMILES notation for (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one?
The canonical SMILES for (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)C(=O)C[C@@H](C)N4c4ncc(C(F)(F)F)cn4)cn3)n2)s1.
What is the InChIKey of (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one?
The InChIKey is CVDLQQBMKWMXBJ-PUODRLBUSA-N. The full InChI is InChI=1S/C25H23F3N8O2S2/c1-12-7-19(37)14(3)36(35(12)23-30-9-17(10-31-23)25(26,27)28)22(38)16-5-6-20(29-8-16)34-24-33-18(11-39-24)21-13(2)32-15(4)40-21/h5-6,8-12,14H,7H2,1-4H3,(H,29,33,34)/t12-,14?/m1/s1.
What are the key properties of (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one?
(6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one has a molecular weight of 588.64 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,6-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]diazinan-4-one is sourced from PubChem (CID 144984255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).