2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

C40H35F2N5O4S — CID 163212661

IUPAC2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
SMILESCC1(C)CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(C6Cc7cn(-c8ccc(F)cc8)c(=O)c(C(N)=O)c7O6)cc5F)c4s3)nc2)CC1
InChIInChI=1S/C40H35F2N5O4S/c1-40(2)12-15-46(16-13-40)21-23-3-9-29(45-20-23)34-19-30-37(52-34)32(11-14-44-30)50-31-10-4-24(17-28(31)42)33-18-25-22-47(27-7-5-26(41)6-8-27)39(49)35(38(43)48)36(25)51-33/h3-11,14,17,19-20,22,33H,12-13,15-16,18,21H2,1-2H3,(H2,43,48)
InChIKeyLUDBEUQFAXRLGU-UHFFFAOYSA-N
MW719.81 g/mol
LogP7.98
Rot. Bonds8

About 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 163212661) has the molecular formula C40H35F2N5O4S and a molecular weight of 719.81 g/mol. Its IUPAC name is 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
PubChem CID163212661
Molecular FormulaC40H35F2N5O4S
Molecular Weight719.81 g/mol
Exact Mass719.24
IUPAC Name2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
SMILESCC1(C)CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(C6Cc7cn(-c8ccc(F)cc8)c(=O)c(C(N)=O)c7O6)cc5F)c4s3)nc2)CC1
InChIInChI=1S/C40H35F2N5O4S/c1-40(2)12-15-46(16-13-40)21-23-3-9-29(45-20-23)34-19-30-37(52-34)32(11-14-44-30)50-31-10-4-24(17-28(31)42)33-18-25-22-47(27-7-5-26(41)6-8-27)39(49)35(38(43)48)36(25)51-33/h3-11,14,17,19-20,22,33H,12-13,15-16,18,21H2,1-2H3,(H2,43,48)
InChIKeyLUDBEUQFAXRLGU-UHFFFAOYSA-N
XLogP7.98
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.81
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779616
7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 167627134
N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779638
1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 58474304
1-[4-[2-[5-[(4-aminopiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 67443027
(2S)-2-amino-1-[4-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 58474744
[2-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 67441803
1-[4-[2-[5-[[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 77430024
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474608
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 86658603
(3S)-1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methylpyrrolidin-2-one
CID 58474896
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-[methyl(2-oxopropyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474433

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (CID 163212661) is 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is CC1(C)CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(C6Cc7cn(-c8ccc(F)cc8)c(=O)c(C(N)=O)c7O6)cc5F)c4s3)nc2)CC1.
What is the InChIKey of 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is LUDBEUQFAXRLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35F2N5O4S/c1-40(2)12-15-46(16-13-40)21-23-3-9-29(45-20-23)34-19-30-37(52-34)32(11-14-44-30)50-31-10-4-24(17-28(31)42)33-18-25-22-47(27-7-5-26(41)6-8-27)39(49)35(38(43)48)36(25)51-33/h3-11,14,17,19-20,22,33H,12-13,15-16,18,21H2,1-2H3,(H2,43,48).
What are the key properties of 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?
2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 719.81 g/mol, XLogP of 7.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 163212661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).