4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide

C32H31FN4O5 — CID 140903443

IUPAC4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CNCCC2F)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1
InChIInChI=1S/C32H31FN4O5/c1-39-29-15-20(32(38)37-27-18-35-10-7-25(27)33)2-4-24(29)30-16-26-31(42-30)23(6-11-36-26)19-3-5-28(21(14-19)17-34)41-22-8-12-40-13-9-22/h2-6,11,14-16,22,25,27,35H,7-10,12-13,18H2,1H3,(H,37,38)
InChIKeyLSHVHXVFHRGDGV-UHFFFAOYSA-N
MW570.62 g/mol
LogP5.03
Rot. Bonds7

About 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide

4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide (PubChem CID 140903443) has the molecular formula C32H31FN4O5 and a molecular weight of 570.62 g/mol. Its IUPAC name is 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide
PubChem CID140903443
Molecular FormulaC32H31FN4O5
Molecular Weight570.62 g/mol
Exact Mass570.23
IUPAC Name4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CNCCC2F)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1
InChIInChI=1S/C32H31FN4O5/c1-39-29-15-20(32(38)37-27-18-35-10-7-25(27)33)2-4-24(29)30-16-26-31(42-30)23(6-11-36-26)19-3-5-28(21(14-19)17-34)41-22-8-12-40-13-9-22/h2-6,11,14-16,22,25,27,35H,7-10,12-13,18H2,1H3,(H,37,38)
InChIKeyLSHVHXVFHRGDGV-UHFFFAOYSA-N
XLogP5.03
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53379356
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1R)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53379357
4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[(1R)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 53379358
4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 53379469
4-fluoro-5-[3-fluoro-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53379470
4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53379471
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-([1,3]oxazolo[4,5-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53380885
2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-([1,3]oxazolo[4,5-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53380888
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-4-(pyridin-3-ylmethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 58472594
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472631
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-4-(pyridin-2-ylmethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 58472652
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472733

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide?
The IUPAC name of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide (CID 140903443) is 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide?
The canonical SMILES for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide is COc1cc(C(=O)NC2CNCCC2F)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.
What is the InChIKey of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide?
The InChIKey is LSHVHXVFHRGDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O5/c1-39-29-15-20(32(38)37-27-18-35-10-7-25(27)33)2-4-24(29)30-16-26-31(42-30)23(6-11-36-26)19-3-5-28(21(14-19)17-34)41-22-8-12-40-13-9-22/h2-6,11,14-16,22,25,27,35H,7-10,12-13,18H2,1H3,(H,37,38).
What are the key properties of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide?
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide has a molecular weight of 570.62 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(4-fluoropiperidin-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 140903443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).