tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate

C23H28N8O2S — CID 90178396

IUPACtert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate
SMILESCc1nc2cnc(Nc3ccnc(-c4cnc(N(C)C(=O)OC(C)(C)C)s4)n3)cc2n1C(C)C
InChIInChI=1S/C23H28N8O2S/c1-13(2)31-14(3)27-15-11-25-19(10-16(15)31)28-18-8-9-24-20(29-18)17-12-26-21(34-17)30(7)22(32)33-23(4,5)6/h8-13H,1-7H3,(H,24,25,28,29)
InChIKeyOXHMCYZVMXHDIM-UHFFFAOYSA-N
MW480.60 g/mol
LogP5.35
Rot. Bonds5

About tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate (PubChem CID 90178396) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate
PubChem CID90178396
Molecular FormulaC23H28N8O2S
Molecular Weight480.60 g/mol
Exact Mass480.21
IUPAC Nametert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate
SMILESCc1nc2cnc(Nc3ccnc(-c4cnc(N(C)C(=O)OC(C)(C)C)s4)n3)cc2n1C(C)C
InChIInChI=1S/C23H28N8O2S/c1-13(2)31-14(3)27-15-11-25-19(10-16(15)31)28-18-8-9-24-20(29-18)17-12-26-21(34-17)30(7)22(32)33-23(4,5)6/h8-13H,1-7H3,(H,24,25,28,29)
InChIKeyOXHMCYZVMXHDIM-UHFFFAOYSA-N
XLogP5.35
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate (CID 90178396) is tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate is Cc1nc2cnc(Nc3ccnc(-c4cnc(N(C)C(=O)OC(C)(C)C)s4)n3)cc2n1C(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is OXHMCYZVMXHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-13(2)31-14(3)27-15-11-25-19(10-16(15)31)28-18-8-9-24-20(29-18)17-12-26-21(34-17)30(7)22(32)33-23(4,5)6/h8-13H,1-7H3,(H,24,25,28,29).
What are the key properties of tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 480.60 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 90178396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).