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

C32H33F2N7O5S — CID 57399834

IUPAC5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2F)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1
InChIInChI=1S/C32H33F2N7O5S/c1-20-21(6-11-30(37-20)46-29-10-8-23(17-27(29)34)39-47(2,44)45)19-40-14-12-25(13-15-40)41(26-5-3-4-22(33)16-26)32(43)38-24-7-9-28(31(35)42)36-18-24/h3-11,16-18,25,39H,12-15,19H2,1-2H3,(H2,35,42)(H,38,43)
InChIKeyMXVXMKOCRSBIMB-UHFFFAOYSA-N
MW665.72 g/mol
LogP5.03
Rot. Bonds10

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

5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide (PubChem CID 57399834) has the molecular formula C32H33F2N7O5S and a molecular weight of 665.72 g/mol. Its IUPAC name is 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide
PubChem CID57399834
Molecular FormulaC32H33F2N7O5S
Molecular Weight665.72 g/mol
Exact Mass665.22
IUPAC Name5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2F)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1
InChIInChI=1S/C32H33F2N7O5S/c1-20-21(6-11-30(37-20)46-29-10-8-23(17-27(29)34)39-47(2,44)45)19-40-14-12-25(13-15-40)41(26-5-3-4-22(33)16-26)32(43)38-24-7-9-28(31(35)42)36-18-24/h3-11,16-18,25,39H,12-15,19H2,1-2H3,(H2,35,42)(H,38,43)
InChIKeyMXVXMKOCRSBIMB-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 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide (CID 57399834) is 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide is Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2F)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1.
What is the InChIKey of 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide?
The InChIKey is MXVXMKOCRSBIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N7O5S/c1-20-21(6-11-30(37-20)46-29-10-8-23(17-27(29)34)39-47(2,44)45)19-40-14-12-25(13-15-40)41(26-5-3-4-22(33)16-26)32(43)38-24-7-9-28(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 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide?
5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)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 5-[[[1-[[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-(3-fluorophenyl)carbamoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 57399834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).