N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide

C24H17F2N5O2S — CID 54754768

IUPACN-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)(C#N)c1cccc(C(=O)Nc2cc(NC(=O)c3cc4nccnc4s3)c(F)cc2F)c1
InChIInChI=1S/C24H17F2N5O2S/c1-24(2,12-27)14-5-3-4-13(8-14)21(32)30-17-10-18(16(26)9-15(17)25)31-22(33)20-11-19-23(34-20)29-7-6-28-19/h3-11H,1-2H3,(H,30,32)(H,31,33)
InChIKeyANWZNECXBPGQSM-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.28
Rot. Bonds5

About N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide

N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 54754768) has the molecular formula C24H17F2N5O2S and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID54754768
Molecular FormulaC24H17F2N5O2S
Molecular Weight477.50 g/mol
Exact Mass477.11
IUPAC NameN-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)(C#N)c1cccc(C(=O)Nc2cc(NC(=O)c3cc4nccnc4s3)c(F)cc2F)c1
InChIInChI=1S/C24H17F2N5O2S/c1-24(2,12-27)14-5-3-4-13(8-14)21(32)30-17-10-18(16(26)9-15(17)25)31-22(33)20-11-19-23(34-20)29-7-6-28-19/h3-11H,1-2H3,(H,30,32)(H,31,33)
InChIKeyANWZNECXBPGQSM-UHFFFAOYSA-N
XLogP5.28
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 54754768) is N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide is CC(C)(C#N)c1cccc(C(=O)Nc2cc(NC(=O)c3cc4nccnc4s3)c(F)cc2F)c1.
What is the InChIKey of N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ANWZNECXBPGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2S/c1-24(2,12-27)14-5-3-4-13(8-14)21(32)30-17-10-18(16(26)9-15(17)25)31-22(33)20-11-19-23(34-20)29-7-6-28-19/h3-11H,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide?
N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,4-difluorophenyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 54754768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).