1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide

C34H29F2N7O4 — CID 59159896

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide
SMILESCn1c(CN2CCOCC2)c(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3cccnc3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C34H29F2N7O4/c1-41-29(20-42-11-13-46-14-12-42)32(34(45)43(41)25-7-4-23(35)5-8-25)33(44)39-24-6-9-30(27(36)16-24)47-31-15-22-19-38-40-28(22)17-26(31)21-3-2-10-37-18-21/h2-10,15-19H,11-14,20H2,1H3,(H,38,40)(H,39,44)
InChIKeyYQCIBHNPQJZLOT-UHFFFAOYSA-N
MW637.65 g/mol
LogP5.27
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide (PubChem CID 59159896) has the molecular formula C34H29F2N7O4 and a molecular weight of 637.65 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide
PubChem CID59159896
Molecular FormulaC34H29F2N7O4
Molecular Weight637.65 g/mol
Exact Mass637.22
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide
SMILESCn1c(CN2CCOCC2)c(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3cccnc3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C34H29F2N7O4/c1-41-29(20-42-11-13-46-14-12-42)32(34(45)43(41)25-7-4-23(35)5-8-25)33(44)39-24-6-9-30(27(36)16-24)47-31-15-22-19-38-40-28(22)17-26(31)21-3-2-10-37-18-21/h2-10,15-19H,11-14,20H2,1H3,(H,38,40)(H,39,44)
InChIKeyYQCIBHNPQJZLOT-UHFFFAOYSA-N
XLogP5.27
TPSA119.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.65
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide (CID 59159896) is 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide is Cn1c(CN2CCOCC2)c(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3cccnc3)c(F)c2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide?
The InChIKey is YQCIBHNPQJZLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F2N7O4/c1-41-29(20-42-11-13-46-14-12-42)32(34(45)43(41)25-7-4-23(35)5-8-25)33(44)39-24-6-9-30(27(36)16-24)47-31-15-22-19-38-40-28(22)17-26(31)21-3-2-10-37-18-21/h2-10,15-19H,11-14,20H2,1H3,(H,38,40)(H,39,44).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide has a molecular weight of 637.65 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 59159896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).