2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid

C39H43FN6O7S — CID 175026818

IUPAC2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1ccc(-c2cn(CC3CCOCC3)c(-c3ccc(-c4cc(-c5cnn(C6CCOCC6)c5)cnc4N)c(F)c3)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C38H39FN6O4.CH4O3S/c1-23-2-4-25(5-3-23)32-22-44(20-24-8-12-48-13-9-24)35(34(36(32)46)38(41)47)26-6-7-30(33(39)17-26)31-16-27(18-42-37(31)40)28-19-43-45(21-28)29-10-14-49-15-11-29;1-5(2,3)4/h2-7,16-19,21-22,24,29H,8-15,20H2,1H3,(H2,40,42)(H2,41,47);1H3,(H,2,3,4)
InChIKeyFBNPVSLCHHLHGW-UHFFFAOYSA-N
MW758.87 g/mol
LogP5.52
Rot. Bonds8

About 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid

2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid (PubChem CID 175026818) has the molecular formula C39H43FN6O7S and a molecular weight of 758.87 g/mol. Its IUPAC name is 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid.

Molecular Properties

Compound Name2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
PubChem CID175026818
Molecular FormulaC39H43FN6O7S
Molecular Weight758.87 g/mol
Exact Mass758.29
IUPAC Name2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1ccc(-c2cn(CC3CCOCC3)c(-c3ccc(-c4cc(-c5cnn(C6CCOCC6)c5)cnc4N)c(F)c3)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C38H39FN6O4.CH4O3S/c1-23-2-4-25(5-3-23)32-22-44(20-24-8-12-48-13-9-24)35(34(36(32)46)38(41)47)26-6-7-30(33(39)17-26)31-16-27(18-42-37(31)40)28-19-43-45(21-28)29-10-14-49-15-11-29;1-5(2,3)4/h2-7,16-19,21-22,24,29H,8-15,20H2,1H3,(H2,40,42)(H2,41,47);1H3,(H,2,3,4)
InChIKeyFBNPVSLCHHLHGW-UHFFFAOYSA-N
XLogP5.52
TPSA194.65 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.87
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?
The IUPAC name of 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid (CID 175026818) is 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid.
What is the SMILES notation for 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?
The canonical SMILES for 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid is CS(=O)(=O)O.Cc1ccc(-c2cn(CC3CCOCC3)c(-c3ccc(-c4cc(-c5cnn(C6CCOCC6)c5)cnc4N)c(F)c3)c(C(N)=O)c2=O)cc1.
What is the InChIKey of 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?
The InChIKey is FBNPVSLCHHLHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39FN6O4.CH4O3S/c1-23-2-4-25(5-3-23)32-22-44(20-24-8-12-48-13-9-24)35(34(36(32)46)38(41)47)26-6-7-30(33(39)17-26)31-16-27(18-42-37(31)40)28-19-43-45(21-28)29-10-14-49-15-11-29;1-5(2,3)4/h2-7,16-19,21-22,24,29H,8-15,20H2,1H3,(H2,40,42)(H2,41,47);1H3,(H,2,3,4).
What are the key properties of 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?
2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid has a molecular weight of 758.87 g/mol, XLogP of 5.52, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid is sourced from PubChem (CID 175026818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).