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

C35H26FN7O4 — CID 170950482

IUPACN-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(CN)c2)cn1
InChIInChI=1S/C35H26FN7O4/c1-42-19-23(18-40-42)31-29(22-5-2-4-21(16-22)17-37)30-33(38-20-39-34(30)47-31)46-27-13-9-25(10-14-27)41-32(44)28-6-3-15-43(35(28)45)26-11-7-24(36)8-12-26/h2-16,18-20H,17,37H2,1H3,(H,41,44)
InChIKeyHXCACITXFCPZQQ-UHFFFAOYSA-N
MW627.64 g/mol
LogP6.08
Rot. Bonds8

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

N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 170950482) has the molecular formula C35H26FN7O4 and a molecular weight of 627.64 g/mol. Its IUPAC name is N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID170950482
Molecular FormulaC35H26FN7O4
Molecular Weight627.64 g/mol
Exact Mass627.20
IUPAC NameN-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(CN)c2)cn1
InChIInChI=1S/C35H26FN7O4/c1-42-19-23(18-40-42)31-29(22-5-2-4-21(16-22)17-37)30-33(38-20-39-34(30)47-31)46-27-13-9-25(10-14-27)41-32(44)28-6-3-15-43(35(28)45)26-11-7-24(36)8-12-26/h2-16,18-20H,17,37H2,1H3,(H,41,44)
InChIKeyHXCACITXFCPZQQ-UHFFFAOYSA-N
XLogP6.08
TPSA143.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.64
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 170950482) is N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(CN)c2)cn1.
What is the InChIKey of N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is HXCACITXFCPZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26FN7O4/c1-42-19-23(18-40-42)31-29(22-5-2-4-21(16-22)17-37)30-33(38-20-39-34(30)47-31)46-27-13-9-25(10-14-27)41-32(44)28-6-3-15-43(35(28)45)26-11-7-24(36)8-12-26/h2-16,18-20H,17,37H2,1H3,(H,41,44).
What are the key properties of N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 627.64 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(aminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170950482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).