N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C30H26F2N6O5 — CID 155177372

IUPACN-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCC3)c2)c(F)c1)c1cn(CC2CC2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H26F2N6O5/c31-19-4-7-21(8-5-19)38-28(40)23(17-37(30(38)42)16-18-2-3-18)27(39)34-20-6-9-25(24(32)14-20)43-22-10-11-33-26(15-22)35-29(41)36-12-1-13-36/h4-11,14-15,17-18H,1-3,12-13,16H2,(H,34,39)(H,33,35,41)
InChIKeyCXQUSKUCZSYVLJ-UHFFFAOYSA-N
MW588.57 g/mol
LogP4.36
Rot. Bonds8

About N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 155177372) has the molecular formula C30H26F2N6O5 and a molecular weight of 588.57 g/mol. Its IUPAC name is N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID155177372
Molecular FormulaC30H26F2N6O5
Molecular Weight588.57 g/mol
Exact Mass588.19
IUPAC NameN-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCC3)c2)c(F)c1)c1cn(CC2CC2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H26F2N6O5/c31-19-4-7-21(8-5-19)38-28(40)23(17-37(30(38)42)16-18-2-3-18)27(39)34-20-6-9-25(24(32)14-20)43-22-10-11-33-26(15-22)35-29(41)36-12-1-13-36/h4-11,14-15,17-18H,1-3,12-13,16H2,(H,34,39)(H,33,35,41)
InChIKeyCXQUSKUCZSYVLJ-UHFFFAOYSA-N
XLogP4.36
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177442
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-[(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
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-fluoro-4-[[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 71488984
3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide
CID 175548235
tert-butyl 4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 166075089
N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
CID 23153391
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
N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide
CID 58268724
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 71576420
1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
CID 134555924

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 155177372) is N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCC3)c2)c(F)c1)c1cn(CC2CC2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is CXQUSKUCZSYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O5/c31-19-4-7-21(8-5-19)38-28(40)23(17-37(30(38)42)16-18-2-3-18)27(39)34-20-6-9-25(24(32)14-20)43-22-10-11-33-26(15-22)35-29(41)36-12-1-13-36/h4-11,14-15,17-18H,1-3,12-13,16H2,(H,34,39)(H,33,35,41).
What are the key properties of N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 588.57 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 155177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).