1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C35H37F2N7O4 — CID 164610952

IUPAC1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1
InChIInChI=1S/C35H37F2N7O4/c1-41-13-10-23(11-14-41)17-42-15-12-27-30(20-42)38-21-39-33(27)48-31-9-6-25(16-29(31)37)40-32(45)28-19-43(18-22-2-3-22)35(47)44(34(28)46)26-7-4-24(36)5-8-26/h4-9,16,19,21-23H,2-3,10-15,17-18,20H2,1H3,(H,40,45)
InChIKeyHJCZOBLYJWGMDD-UHFFFAOYSA-N
MW657.72 g/mol
LogP4.22
Rot. Bonds9

About 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 164610952) has the molecular formula C35H37F2N7O4 and a molecular weight of 657.72 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID164610952
Molecular FormulaC35H37F2N7O4
Molecular Weight657.72 g/mol
Exact Mass657.29
IUPAC Name1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1
InChIInChI=1S/C35H37F2N7O4/c1-41-13-10-23(11-14-41)17-42-15-12-27-30(20-42)38-21-39-33(27)48-31-9-6-25(16-29(31)37)40-32(45)28-19-43(18-22-2-3-22)35(47)44(34(28)46)26-7-4-24(36)5-8-26/h4-9,16,19,21-23H,2-3,10-15,17-18,20H2,1H3,(H,40,45)
InChIKeyHJCZOBLYJWGMDD-UHFFFAOYSA-N
XLogP4.22
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.72
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 164610952) is 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is CN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is HJCZOBLYJWGMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F2N7O4/c1-41-13-10-23(11-14-41)17-42-15-12-27-30(20-42)38-21-39-33(27)48-31-9-6-25(16-29(31)37)40-32(45)28-19-43(18-22-2-3-22)35(47)44(34(28)46)26-7-4-24(36)5-8-26/h4-9,16,19,21-23H,2-3,10-15,17-18,20H2,1H3,(H,40,45).
What are the key properties of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 657.72 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 164610952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).