N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C30H22F4N6O5 — CID 142733839

IUPACN-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Oc3cc(N4CCC(F)(F)C4=O)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H22F4N6O5/c1-2-37-16-21(27(42)40(29(37)44)19-6-3-17(31)4-7-19)26(41)36-18-5-8-24(22(32)13-18)45-25-14-20(15-39-23(25)9-11-35-39)38-12-10-30(33,34)28(38)43/h3-9,11,13-16H,2,10,12H2,1H3,(H,36,41)
InChIKeyWJRPTJLNDFESAC-UHFFFAOYSA-N
MW622.54 g/mol
LogP4.36
Rot. Bonds7

About N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 142733839) has the molecular formula C30H22F4N6O5 and a molecular weight of 622.54 g/mol. Its IUPAC name is N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID142733839
Molecular FormulaC30H22F4N6O5
Molecular Weight622.54 g/mol
Exact Mass622.16
IUPAC NameN-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Oc3cc(N4CCC(F)(F)C4=O)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H22F4N6O5/c1-2-37-16-21(27(42)40(29(37)44)19-6-3-17(31)4-7-19)26(41)36-18-5-8-24(22(32)13-18)45-25-14-20(15-39-23(25)9-11-35-39)38-12-10-30(33,34)28(38)43/h3-9,11,13-16H,2,10,12H2,1H3,(H,36,41)
InChIKeyWJRPTJLNDFESAC-UHFFFAOYSA-N
XLogP4.36
TPSA119.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 142733839) is N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3cc(N4CCC(F)(F)C4=O)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is WJRPTJLNDFESAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F4N6O5/c1-2-37-16-21(27(42)40(29(37)44)19-6-3-17(31)4-7-19)26(41)36-18-5-8-24(22(32)13-18)45-25-14-20(15-39-23(25)9-11-35-39)38-12-10-30(33,34)28(38)43/h3-9,11,13-16H,2,10,12H2,1H3,(H,36,41).
What are the key properties of N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 622.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,3-difluoro-2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 142733839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).