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

C26H22F2N2O3S — CID 155125888

IUPAC7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)(O)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
InChIInChI=1S/C26H22F2N2O3S/c1-26(2,32)21-22-23(17(7-9-29-22)14-11-15(27)13-16(28)12-14)34-24(21)25(31)30-19-8-10-33-20-6-4-3-5-18(19)20/h3-7,9,11-13,19,32H,8,10H2,1-2H3,(H,30,31)/t19-/m0/s1
InChIKeySVWRHLKDJUZYNU-IBGZPJMESA-N
MW480.54 g/mol
LogP5.72
Rot. Bonds4

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

7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155125888) has the molecular formula C26H22F2N2O3S and a molecular weight of 480.54 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID155125888
Molecular FormulaC26H22F2N2O3S
Molecular Weight480.54 g/mol
Exact Mass480.13
IUPAC Name7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)(O)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
InChIInChI=1S/C26H22F2N2O3S/c1-26(2,32)21-22-23(17(7-9-29-22)14-11-15(27)13-16(28)12-14)34-24(21)25(31)30-19-8-10-33-20-6-4-3-5-18(19)20/h3-7,9,11-13,19,32H,8,10H2,1-2H3,(H,30,31)/t19-/m0/s1
InChIKeySVWRHLKDJUZYNU-IBGZPJMESA-N
XLogP5.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-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 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide (CID 155125888) is 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide is CC(C)(O)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12.
What is the InChIKey of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is SVWRHLKDJUZYNU-IBGZPJMESA-N. The full InChI is InChI=1S/C26H22F2N2O3S/c1-26(2,32)21-22-23(17(7-9-29-22)14-11-15(27)13-16(28)12-14)34-24(21)25(31)30-19-8-10-33-20-6-4-3-5-18(19)20/h3-7,9,11-13,19,32H,8,10H2,1-2H3,(H,30,31)/t19-/m0/s1.
What are the key properties of 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155125888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).