N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C34H35F2N7O5 — CID 164608767

IUPACN-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)C3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C34H35F2N7O5/c1-20(2)42-17-26(33(46)43(34(42)47)24-7-4-22(35)5-8-24)30(44)39-23-6-9-29(27(36)16-23)48-31-25-12-15-41(18-28(25)37-19-38-31)32(45)21-10-13-40(3)14-11-21/h4-9,16-17,19-21H,10-15,18H2,1-3H3,(H,39,44)
InChIKeyWYEUDIXCTGHYOQ-UHFFFAOYSA-N
MW659.69 g/mol
LogP3.92
Rot. Bonds7

About N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 164608767) has the molecular formula C34H35F2N7O5 and a molecular weight of 659.69 g/mol. Its IUPAC name is N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
PubChem CID164608767
Molecular FormulaC34H35F2N7O5
Molecular Weight659.69 g/mol
Exact Mass659.27
IUPAC NameN-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)C3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C34H35F2N7O5/c1-20(2)42-17-26(33(46)43(34(42)47)24-7-4-22(35)5-8-24)30(44)39-23-6-9-29(27(36)16-23)48-31-25-12-15-41(18-28(25)37-19-38-31)32(45)21-10-13-40(3)14-11-21/h4-9,16-17,19-21H,10-15,18H2,1-3H3,(H,39,44)
InChIKeyWYEUDIXCTGHYOQ-UHFFFAOYSA-N
XLogP3.92
TPSA131.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 164608767) is N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)C3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is WYEUDIXCTGHYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N7O5/c1-20(2)42-17-26(33(46)43(34(42)47)24-7-4-22(35)5-8-24)30(44)39-23-6-9-29(27(36)16-23)48-31-25-12-15-41(18-28(25)37-19-38-31)32(45)21-10-13-40(3)14-11-21/h4-9,16-17,19-21H,10-15,18H2,1-3H3,(H,39,44).
What are the key properties of N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 659.69 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[7-(1-methylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 164608767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).