3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C35H33F2N7O6S — CID 169302849

IUPAC3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(S(=O)(=O)N5CCCCC5)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H33F2N7O6S/c1-22(2)43-21-28(34(46)44(35(43)47)25-9-6-23(36)7-10-25)33(45)40-24-8-12-30(29(37)18-24)50-26-14-15-38-32(19-26)41-31-13-11-27(20-39-31)51(48,49)42-16-4-3-5-17-42/h6-15,18-22H,3-5,16-17H2,1-2H3,(H,40,45)(H,38,39,41)
InChIKeyQEWWRQLOXCSNGA-UHFFFAOYSA-N
MW717.76 g/mol
LogP5.61
Rot. Bonds10

About 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 169302849) has the molecular formula C35H33F2N7O6S and a molecular weight of 717.76 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
PubChem CID169302849
Molecular FormulaC35H33F2N7O6S
Molecular Weight717.76 g/mol
Exact Mass717.22
IUPAC Name3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(S(=O)(=O)N5CCCCC5)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H33F2N7O6S/c1-22(2)43-21-28(34(46)44(35(43)47)25-9-6-23(36)7-10-25)33(45)40-24-8-12-30(29(37)18-24)50-26-14-15-38-32(19-26)41-31-13-11-27(20-39-31)51(48,49)42-16-4-3-5-17-42/h6-15,18-22H,3-5,16-17H2,1-2H3,(H,40,45)(H,38,39,41)
InChIKeyQEWWRQLOXCSNGA-UHFFFAOYSA-N
XLogP5.61
TPSA157.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.76
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 164626343
N-[4-[(2-amino-3-cyano-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150268
N-[4-[[2-amino-3-[2-(1-methylpiperidin-4-yl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150212
N-[3-fluoro-4-[[2-[(5-methylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
CID 169490082
N-[4-[[2-amino-3-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150270
N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177372
N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150276
1-(cyclopropylmethyl)-N-[4-[[2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177374
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177442
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate
CID 163868885
3-(4-chlorophenyl)-N-[3-fluoro-4-[[3-(1-hydroxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 146441756

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 169302849) is 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(S(=O)(=O)N5CCCCC5)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is QEWWRQLOXCSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2N7O6S/c1-22(2)43-21-28(34(46)44(35(43)47)25-9-6-23(36)7-10-25)33(45)40-24-8-12-30(29(37)18-24)50-26-14-15-38-32(19-26)41-31-13-11-27(20-39-31)51(48,49)42-16-4-3-5-17-42/h6-15,18-22H,3-5,16-17H2,1-2H3,(H,40,45)(H,38,39,41).
What are the key properties of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 717.76 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 169302849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).