3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

C21H15N7O2S — CID 162645597

IUPAC3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(-c2ccccc2)n2nc(C(=O)Nc3c(C(N)=O)sc4ncccc34)nc2n1
InChIInChI=1S/C21H15N7O2S/c1-11-10-14(12-6-3-2-4-7-12)28-21(24-11)26-18(27-28)19(30)25-15-13-8-5-9-23-20(13)31-16(15)17(22)29/h2-10H,1H3,(H2,22,29)(H,25,30)
InChIKeyJURDVACMBFPTIL-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.06
Rot. Bonds4

About 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 162645597) has the molecular formula C21H15N7O2S and a molecular weight of 429.47 g/mol. Its IUPAC name is 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID162645597
Molecular FormulaC21H15N7O2S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC Name3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(-c2ccccc2)n2nc(C(=O)Nc3c(C(N)=O)sc4ncccc34)nc2n1
InChIInChI=1S/C21H15N7O2S/c1-11-10-14(12-6-3-2-4-7-12)28-21(24-11)26-18(27-28)19(30)25-15-13-8-5-9-23-20(13)31-16(15)17(22)29/h2-10H,1H3,(H2,22,29)(H,25,30)
InChIKeyJURDVACMBFPTIL-UHFFFAOYSA-N
XLogP3.06
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 162645597) is 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(-c2ccccc2)n2nc(C(=O)Nc3c(C(N)=O)sc4ncccc34)nc2n1.
What is the InChIKey of 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JURDVACMBFPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2S/c1-11-10-14(12-6-3-2-4-7-12)28-21(24-11)26-18(27-28)19(30)25-15-13-8-5-9-23-20(13)31-16(15)17(22)29/h2-10H,1H3,(H2,22,29)(H,25,30).
What are the key properties of 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162645597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).