3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide

C32H33F2N7O5S — CID 57392893

IUPAC3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2cnc(C(N)=O)c(F)c2)c2cccc(F)c2)CC1
InChIInChI=1S/C32H33F2N7O5S/c1-20-21(6-11-29(37-20)46-27-9-7-23(8-10-27)39-47(2,44)45)19-40-14-12-25(13-15-40)41(26-5-3-4-22(33)16-26)32(43)38-24-17-28(34)30(31(35)42)36-18-24/h3-11,16-18,25,39H,12-15,19H2,1-2H3,(H2,35,42)(H,38,43)
InChIKeyDVFOQMRJIKUZJA-UHFFFAOYSA-N
MW665.72 g/mol
LogP5.03
Rot. Bonds10

About 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide

3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide (PubChem CID 57392893) has the molecular formula C32H33F2N7O5S and a molecular weight of 665.72 g/mol. Its IUPAC name is 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
PubChem CID57392893
Molecular FormulaC32H33F2N7O5S
Molecular Weight665.72 g/mol
Exact Mass665.22
IUPAC Name3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2cnc(C(N)=O)c(F)c2)c2cccc(F)c2)CC1
InChIInChI=1S/C32H33F2N7O5S/c1-20-21(6-11-29(37-20)46-27-9-7-23(8-10-27)39-47(2,44)45)19-40-14-12-25(13-15-40)41(26-5-3-4-22(33)16-26)32(43)38-24-17-28(34)30(31(35)42)36-18-24/h3-11,16-18,25,39H,12-15,19H2,1-2H3,(H2,35,42)(H,38,43)
InChIKeyDVFOQMRJIKUZJA-UHFFFAOYSA-N
XLogP5.03
TPSA159.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.72
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide (CID 57392893) is 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide is Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2cnc(C(N)=O)c(F)c2)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The InChIKey is DVFOQMRJIKUZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N7O5S/c1-20-21(6-11-29(37-20)46-27-9-7-23(8-10-27)39-47(2,44)45)19-40-14-12-25(13-15-40)41(26-5-3-4-22(33)16-26)32(43)38-24-17-28(34)30(31(35)42)36-18-24/h3-11,16-18,25,39H,12-15,19H2,1-2H3,(H2,35,42)(H,38,43).
What are the key properties of 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide has a molecular weight of 665.72 g/mol, XLogP of 5.03, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 57392893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).