3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide

C24H16F4N2O2S — CID 155125905

IUPAC3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F
InChIInChI=1S/C24H16F4N2O2S/c25-13-9-12(10-14(26)11-13)15-5-7-29-20-19(23(27)28)22(33-21(15)20)24(31)30-17-6-8-32-18-4-2-1-3-16(17)18/h1-5,7,9-11,17,23H,6,8H2,(H,30,31)/t17-/m0/s1
InChIKeyROPKIBYTVQPYOJ-KRWDZBQOSA-N
MW472.46 g/mol
LogP6.43
Rot. Bonds4

About 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide

3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155125905) has the molecular formula C24H16F4N2O2S and a molecular weight of 472.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID155125905
Molecular FormulaC24H16F4N2O2S
Molecular Weight472.46 g/mol
Exact Mass472.09
IUPAC Name3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F
InChIInChI=1S/C24H16F4N2O2S/c25-13-9-12(10-14(26)11-13)15-5-7-29-20-19(23(27)28)22(33-21(15)20)24(31)30-17-6-8-32-18-4-2-1-3-16(17)18/h1-5,7,9-11,17,23H,6,8H2,(H,30,31)/t17-/m0/s1
InChIKeyROPKIBYTVQPYOJ-KRWDZBQOSA-N
XLogP6.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.46
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide (CID 155125905) is 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1sc2c(-c3cc(F)cc(F)c3)ccnc2c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is ROPKIBYTVQPYOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H16F4N2O2S/c25-13-9-12(10-14(26)11-13)15-5-7-29-20-19(23(27)28)22(33-21(15)20)24(31)30-17-6-8-32-18-4-2-1-3-16(17)18/h1-5,7,9-11,17,23H,6,8H2,(H,30,31)/t17-/m0/s1.
What are the key properties of 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 472.46 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155125905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).