N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

C24H23F3N6OS — CID 156569494

IUPACN-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc(C)c3F)C2)cs1
InChIInChI=1S/C24H23F3N6OS/c1-11-20(27)23(33-22(29-11)17-9-28-21-16(17)6-13(25)7-18(21)26)31-14-4-3-5-15(8-14)32-24(34)19-10-35-12(2)30-19/h6-7,9-10,14-15,28H,3-5,8H2,1-2H3,(H,32,34)(H,29,31,33)
InChIKeyYBGVXADBNGHBBH-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.27
Rot. Bonds5

About N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 156569494) has the molecular formula C24H23F3N6OS and a molecular weight of 500.55 g/mol. Its IUPAC name is N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID156569494
Molecular FormulaC24H23F3N6OS
Molecular Weight500.55 g/mol
Exact Mass500.16
IUPAC NameN-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc(C)c3F)C2)cs1
InChIInChI=1S/C24H23F3N6OS/c1-11-20(27)23(33-22(29-11)17-9-28-21-16(17)6-13(25)7-18(21)26)31-14-4-3-5-15(8-14)32-24(34)19-10-35-12(2)30-19/h6-7,9-10,14-15,28H,3-5,8H2,1-2H3,(H,32,34)(H,29,31,33)
InChIKeyYBGVXADBNGHBBH-UHFFFAOYSA-N
XLogP5.27
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 156569494) is N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc(C)c3F)C2)cs1.
What is the InChIKey of N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YBGVXADBNGHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6OS/c1-11-20(27)23(33-22(29-11)17-9-28-21-16(17)6-13(25)7-18(21)26)31-14-4-3-5-15(8-14)32-24(34)19-10-35-12(2)30-19/h6-7,9-10,14-15,28H,3-5,8H2,1-2H3,(H,32,34)(H,29,31,33).
What are the key properties of N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156569494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).