N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide

C22H17Cl2N7OS — CID 155883676

IUPACN-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cc2cc(C3CC3)cnc2s1)c1cn(Cc2cn3cc(Cl)c(Cl)cc3n2)nn1
InChIInChI=1S/C22H17Cl2N7OS/c23-17-5-20-27-15(8-30(20)10-18(17)24)9-31-11-19(28-29-31)21(32)25-7-16-4-13-3-14(12-1-2-12)6-26-22(13)33-16/h3-6,8,10-12H,1-2,7,9H2,(H,25,32)
InChIKeyVMIRRAWDNUAIQG-UHFFFAOYSA-N
MW498.40 g/mol
LogP4.70
Rot. Bonds6

About N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide

N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 155883676) has the molecular formula C22H17Cl2N7OS and a molecular weight of 498.40 g/mol. Its IUPAC name is N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
PubChem CID155883676
Molecular FormulaC22H17Cl2N7OS
Molecular Weight498.40 g/mol
Exact Mass497.06
IUPAC NameN-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cc2cc(C3CC3)cnc2s1)c1cn(Cc2cn3cc(Cl)c(Cl)cc3n2)nn1
InChIInChI=1S/C22H17Cl2N7OS/c23-17-5-20-27-15(8-30(20)10-18(17)24)9-31-11-19(28-29-31)21(32)25-7-16-4-13-3-14(12-1-2-12)6-26-22(13)33-16/h3-6,8,10-12H,1-2,7,9H2,(H,25,32)
InChIKeyVMIRRAWDNUAIQG-UHFFFAOYSA-N
XLogP4.70
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 155883676) is N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1cc2cc(C3CC3)cnc2s1)c1cn(Cc2cn3cc(Cl)c(Cl)cc3n2)nn1.
What is the InChIKey of N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is VMIRRAWDNUAIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N7OS/c23-17-5-20-27-15(8-30(20)10-18(17)24)9-31-11-19(28-29-31)21(32)25-7-16-4-13-3-14(12-1-2-12)6-26-22(13)33-16/h3-6,8,10-12H,1-2,7,9H2,(H,25,32).
What are the key properties of N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 498.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropylthieno[2,3-b]pyridin-2-yl)methyl]-1-[(6,7-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 155883676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).