N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide

C38H32FN7O4 — CID 170950419

IUPACN-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ncnc4oc(-c5cnn(C)c5)c(-c5cccc(CN(C)C)c5)c34)cc2)c1=O
InChIInChI=1S/C38H32FN7O4/c1-23-17-27(39)10-15-31(23)46-16-6-9-30(38(46)48)35(47)43-28-11-13-29(14-12-28)49-36-33-32(25-8-5-7-24(18-25)20-44(2)3)34(26-19-42-45(4)21-26)50-37(33)41-22-40-36/h5-19,21-22H,20H2,1-4H3,(H,43,47)
InChIKeyBGPKBAJVJRRBNN-UHFFFAOYSA-N
MW669.72 g/mol
LogP6.99
Rot. Bonds9

About N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide

N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 170950419) has the molecular formula C38H32FN7O4 and a molecular weight of 669.72 g/mol. Its IUPAC name is N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
PubChem CID170950419
Molecular FormulaC38H32FN7O4
Molecular Weight669.72 g/mol
Exact Mass669.25
IUPAC NameN-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ncnc4oc(-c5cnn(C)c5)c(-c5cccc(CN(C)C)c5)c34)cc2)c1=O
InChIInChI=1S/C38H32FN7O4/c1-23-17-27(39)10-15-31(23)46-16-6-9-30(38(46)48)35(47)43-28-11-13-29(14-12-28)49-36-33-32(25-8-5-7-24(18-25)20-44(2)3)34(26-19-42-45(4)21-26)50-37(33)41-22-40-36/h5-19,21-22H,20H2,1-4H3,(H,43,47)
InChIKeyBGPKBAJVJRRBNN-UHFFFAOYSA-N
XLogP6.99
TPSA120.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.72
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide (CID 170950419) is N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide is Cc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ncnc4oc(-c5cnn(C)c5)c(-c5cccc(CN(C)C)c5)c34)cc2)c1=O.
What is the InChIKey of N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is BGPKBAJVJRRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32FN7O4/c1-23-17-27(39)10-15-31(23)46-16-6-9-30(38(46)48)35(47)43-28-11-13-29(14-12-28)49-36-33-32(25-8-5-7-24(18-25)20-44(2)3)34(26-19-42-45(4)21-26)50-37(33)41-22-40-36/h5-19,21-22H,20H2,1-4H3,(H,43,47).
What are the key properties of N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 669.72 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170950419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).