5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione

C31H28FN5O5 — CID 167570095

IUPAC5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)c(C(=O)Cc3ccc(Oc4ccnc(-c5cnn(C)c5)c4)c(F)c3)cn(C(C)C)c2=O)cc1
InChIInChI=1S/C31H28FN5O5/c1-19(2)36-18-25(30(39)37(31(36)40)22-6-8-23(41-4)9-7-22)28(38)14-20-5-10-29(26(32)13-20)42-24-11-12-33-27(15-24)21-16-34-35(3)17-21/h5-13,15-19H,14H2,1-4H3
InChIKeyFUDNNMNBCXNCQQ-UHFFFAOYSA-N
MW569.59 g/mol
LogP4.74
Rot. Bonds9

About 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione

5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 167570095) has the molecular formula C31H28FN5O5 and a molecular weight of 569.59 g/mol. Its IUPAC name is 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID167570095
Molecular FormulaC31H28FN5O5
Molecular Weight569.59 g/mol
Exact Mass569.21
IUPAC Name5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)c(C(=O)Cc3ccc(Oc4ccnc(-c5cnn(C)c5)c4)c(F)c3)cn(C(C)C)c2=O)cc1
InChIInChI=1S/C31H28FN5O5/c1-19(2)36-18-25(30(39)37(31(36)40)22-6-8-23(41-4)9-7-22)28(38)14-20-5-10-29(26(32)13-20)42-24-11-12-33-27(15-24)21-16-34-35(3)17-21/h5-13,15-19H,14H2,1-4H3
InChIKeyFUDNNMNBCXNCQQ-UHFFFAOYSA-N
XLogP4.74
TPSA110.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.59
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methylcyclohexyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 167542634
5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 167554094
5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 149417288
5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one
CID 148613286
N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635920
N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]acetamide
CID 90403222
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-N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-[(1S)-1-(4-fluorophenyl)propyl]cyclopropane-1,1-dicarboxamide
CID 67397471
3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one;dihydrate
CID 172866527
1-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[5-(4-fluorophenoxy)-2H-indazol-3-yl]urea
CID 137031766
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
3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-methylsulfanylpyrimidin-4-one
CID 90416241

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione (CID 167570095) is 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione is COc1ccc(-n2c(=O)c(C(=O)Cc3ccc(Oc4ccnc(-c5cnn(C)c5)c4)c(F)c3)cn(C(C)C)c2=O)cc1.
What is the InChIKey of 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is FUDNNMNBCXNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O5/c1-19(2)36-18-25(30(39)37(31(36)40)22-6-8-23(41-4)9-7-22)28(38)14-20-5-10-29(26(32)13-20)42-24-11-12-33-27(15-24)21-16-34-35(3)17-21/h5-13,15-19H,14H2,1-4H3.
What are the key properties of 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione?
5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 569.59 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 167570095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).