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

C33H34F2N6O5 — CID 164611062

IUPACN-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C33H34F2N6O5/c1-20(2)40-19-26(32(44)41(33(40)45)23-6-4-22(34)5-7-23)31(43)37-28-9-8-24(17-27(28)35)46-25-10-13-36-29(18-25)38-30(42)16-21-11-14-39(3)15-12-21/h4-10,13,17-21H,11-12,14-16H2,1-3H3,(H,37,43)(H,36,38,42)
InChIKeyWFAOCMRUJDNSOA-UHFFFAOYSA-N
MW632.67 g/mol
LogP4.97
Rot. Bonds9

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

N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 164611062) has the molecular formula C33H34F2N6O5 and a molecular weight of 632.67 g/mol. Its IUPAC name is N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
PubChem CID164611062
Molecular FormulaC33H34F2N6O5
Molecular Weight632.67 g/mol
Exact Mass632.26
IUPAC NameN-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C33H34F2N6O5/c1-20(2)40-19-26(32(44)41(33(40)45)23-6-4-22(34)5-7-23)31(43)37-28-9-8-24(17-27(28)35)46-25-10-13-36-29(18-25)38-30(42)16-21-11-14-39(3)15-12-21/h4-10,13,17-21H,11-12,14-16H2,1-3H3,(H,37,43)(H,36,38,42)
InChIKeyWFAOCMRUJDNSOA-UHFFFAOYSA-N
XLogP4.97
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.67
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 164611062) is N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is WFAOCMRUJDNSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N6O5/c1-20(2)40-19-26(32(44)41(33(40)45)23-6-4-22(34)5-7-23)31(43)37-28-9-8-24(17-27(28)35)46-25-10-13-36-29(18-25)38-30(42)16-21-11-14-39(3)15-12-21/h4-10,13,17-21H,11-12,14-16H2,1-3H3,(H,37,43)(H,36,38,42).
What are the key properties of N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 632.67 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 164611062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).