N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide

C24H20F2N6OS — CID 168958829

IUPACN-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2cc(F)c(-c3cc4ccnn4cn3)cc2F)sc2nc(C)ccc12
InChIInChI=1S/C24H20F2N6OS/c1-13-3-4-16-21(27-2)22(34-24(16)31-13)23(33)28-7-5-14-9-19(26)17(11-18(14)25)20-10-15-6-8-30-32(15)12-29-20/h3-4,6,8-12,27H,5,7H2,1-2H3,(H,28,33)
InChIKeyCPXRJRMRJIIWHP-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.61
Rot. Bonds6

About N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide

N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 168958829) has the molecular formula C24H20F2N6OS and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID168958829
Molecular FormulaC24H20F2N6OS
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2cc(F)c(-c3cc4ccnn4cn3)cc2F)sc2nc(C)ccc12
InChIInChI=1S/C24H20F2N6OS/c1-13-3-4-16-21(27-2)22(34-24(16)31-13)23(33)28-7-5-14-9-19(26)17(11-18(14)25)20-10-15-6-8-30-32(15)12-29-20/h3-4,6,8-12,27H,5,7H2,1-2H3,(H,28,33)
InChIKeyCPXRJRMRJIIWHP-UHFFFAOYSA-N
XLogP4.61
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide 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 N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 168958829) is N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is CNc1c(C(=O)NCCc2cc(F)c(-c3cc4ccnn4cn3)cc2F)sc2nc(C)ccc12.
What is the InChIKey of N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CPXRJRMRJIIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6OS/c1-13-3-4-16-21(27-2)22(34-24(16)31-13)23(33)28-7-5-14-9-19(26)17(11-18(14)25)20-10-15-6-8-30-32(15)12-29-20/h3-4,6,8-12,27H,5,7H2,1-2H3,(H,28,33).
What are the key properties of N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluoro-4-pyrazolo[1,5-c]pyrimidin-5-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 168958829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).