4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H25F2N5O — CID 118911356

IUPAC4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC1c2nc(C(N)=O)cc(-c3ccc(F)cc3F)c2CCN1Cc1ccnn1C(C)C
InChIInChI=1S/C23H25F2N5O/c1-13(2)30-16(6-8-27-30)12-29-9-7-18-19(17-5-4-15(24)10-20(17)25)11-21(23(26)31)28-22(18)14(29)3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H2,26,31)
InChIKeyFXWSMLLCYKSBBL-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.02
Rot. Bonds5

About 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911356) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911356
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC1c2nc(C(N)=O)cc(-c3ccc(F)cc3F)c2CCN1Cc1ccnn1C(C)C
InChIInChI=1S/C23H25F2N5O/c1-13(2)30-16(6-8-27-30)12-29-9-7-18-19(17-5-4-15(24)10-20(17)25)11-21(23(26)31)28-22(18)14(29)3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H2,26,31)
InChIKeyFXWSMLLCYKSBBL-UHFFFAOYSA-N
XLogP4.02
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide 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 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911356) is 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC1c2nc(C(N)=O)cc(-c3ccc(F)cc3F)c2CCN1Cc1ccnn1C(C)C.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is FXWSMLLCYKSBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c1-13(2)30-16(6-8-27-30)12-29-9-7-18-19(17-5-4-15(24)10-20(17)25)11-21(23(26)31)28-22(18)14(29)3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H2,26,31).
What are the key properties of 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-methyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).