N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C32H28F4N6O4 — CID 118197811

IUPACN-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3cc(N4CCC(F)(F)CC4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C32H28F4N6O4/c1-19(2)40-18-24(30(44)42(31(40)45)22-6-3-20(33)4-7-22)29(43)38-21-5-8-27(25(34)15-21)46-28-16-23(17-41-26(28)9-12-37-41)39-13-10-32(35,36)11-14-39/h3-9,12,15-19H,10-11,13-14H2,1-2H3,(H,38,43)
InChIKeyIQPXOYXEBLLUIP-UHFFFAOYSA-N
MW636.61 g/mol
LogP5.79
Rot. Bonds7

About N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 118197811) has the molecular formula C32H28F4N6O4 and a molecular weight of 636.61 g/mol. Its IUPAC name is N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
PubChem CID118197811
Molecular FormulaC32H28F4N6O4
Molecular Weight636.61 g/mol
Exact Mass636.21
IUPAC NameN-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3cc(N4CCC(F)(F)CC4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C32H28F4N6O4/c1-19(2)40-18-24(30(44)42(31(40)45)22-6-3-20(33)4-7-22)29(43)38-21-5-8-27(25(34)15-21)46-28-16-23(17-41-26(28)9-12-37-41)39-13-10-32(35,36)11-14-39/h3-9,12,15-19H,10-11,13-14H2,1-2H3,(H,38,43)
InChIKeyIQPXOYXEBLLUIP-UHFFFAOYSA-N
XLogP5.79
TPSA102.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.61
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 118197811) is N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(N4CCC(F)(F)CC4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IQPXOYXEBLLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F4N6O4/c1-19(2)40-18-24(30(44)42(31(40)45)22-6-3-20(33)4-7-22)29(43)38-21-5-8-27(25(34)15-21)46-28-16-23(17-41-26(28)9-12-37-41)39-13-10-32(35,36)11-14-39/h3-9,12,15-19H,10-11,13-14H2,1-2H3,(H,38,43).
What are the key properties of N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 636.61 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118197811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).