1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide

C35H26FN7O4 — CID 170950413

IUPAC1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C35H26FN7O4/c1-37-25-6-3-5-21(17-25)29-30-33(38-20-39-34(30)47-31(29)22-18-40-42(2)19-22)46-27-14-10-24(11-15-27)41-32(44)28-7-4-16-43(35(28)45)26-12-8-23(36)9-13-26/h3-20,37H,1-2H3,(H,41,44)
InChIKeyUSGGKJZAODNEBP-UHFFFAOYSA-N
MW627.64 g/mol
LogP6.67
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 170950413) has the molecular formula C35H26FN7O4 and a molecular weight of 627.64 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID170950413
Molecular FormulaC35H26FN7O4
Molecular Weight627.64 g/mol
Exact Mass627.20
IUPAC Name1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C35H26FN7O4/c1-37-25-6-3-5-21(17-25)29-30-33(38-20-39-34(30)47-31(29)22-18-40-42(2)19-22)46-27-14-10-24(11-15-27)41-32(44)28-7-4-16-43(35(28)45)26-12-8-23(36)9-13-26/h3-20,37H,1-2H3,(H,41,44)
InChIKeyUSGGKJZAODNEBP-UHFFFAOYSA-N
XLogP6.67
TPSA129.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.64
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (CID 170950413) is 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is CNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is USGGKJZAODNEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26FN7O4/c1-37-25-6-3-5-21(17-25)29-30-33(38-20-39-34(30)47-31(29)22-18-40-42(2)19-22)46-27-14-10-24(11-15-27)41-32(44)28-7-4-16-43(35(28)45)26-12-8-23(36)9-13-26/h3-20,37H,1-2H3,(H,41,44).
What are the key properties of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 627.64 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).