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N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide

C24H20F2N6OS — CID 168959747

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2cc(F)c(-c3cc4nccn4cn3)cc2F)sc2nc(C)ccc12
InChIInChI=1S/C24H20F2N6OS/c1-13-3-4-15-21(27-2)22(34-24(15)31-13)23(33)29-6-5-14-9-18(26)16(10-17(14)25)19-11-20-28-7-8-32(20)12-30-19/h3-4,7-12,27H,5-6H2,1-2H3,(H,29,33)
InChIKeyPSAFMNBMSQLDEZ-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.61
Rot. Bonds6

About N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide

N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 168959747) has the molecular formula C24H20F2N6OS and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID168959747
Molecular FormulaC24H20F2N6OS
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2cc(F)c(-c3cc4nccn4cn3)cc2F)sc2nc(C)ccc12
InChIInChI=1S/C24H20F2N6OS/c1-13-3-4-15-21(27-2)22(34-24(15)31-13)23(33)29-6-5-14-9-18(26)16(10-17(14)25)19-11-20-28-7-8-32(20)12-30-19/h3-4,7-12,27H,5-6H2,1-2H3,(H,29,33)
InChIKeyPSAFMNBMSQLDEZ-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 168959747) is N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-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-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is CNc1c(C(=O)NCCc2cc(F)c(-c3cc4nccn4cn3)cc2F)sc2nc(C)ccc12.
What is the InChIKey of N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PSAFMNBMSQLDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6OS/c1-13-3-4-15-21(27-2)22(34-24(15)31-13)23(33)29-6-5-14-9-18(26)16(10-17(14)25)19-11-20-28-7-8-32(20)12-30-19/h3-4,7-12,27H,5-6H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
N-[2-(2,5-difluoro-4-imidazo[1,2-c]pyrimidin-7-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-imidazo[1,2-c]pyrimidin-7-ylphenyl)ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 168959747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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