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

C22H23F2N5O — CID 118911174

IUPAC4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)n1nccc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C22H23F2N5O/c1-13(2)29-15(5-7-26-29)11-28-8-6-17-18(16-4-3-14(23)9-19(16)24)10-20(22(25)30)27-21(17)12-28/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3,(H2,25,30)
InChIKeyKMECIHLYHLMXNH-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.46
Rot. Bonds5

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

4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911174) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911174
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)n1nccc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C22H23F2N5O/c1-13(2)29-15(5-7-26-29)11-28-8-6-17-18(16-4-3-14(23)9-19(16)24)10-20(22(25)30)27-21(17)12-28/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3,(H2,25,30)
InChIKeyKMECIHLYHLMXNH-UHFFFAOYSA-N
XLogP3.46
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-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)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911174) is 4-(2,4-difluorophenyl)-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)-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)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC(C)n1nccc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1.
What is the InChIKey of 4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is KMECIHLYHLMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-13(2)29-15(5-7-26-29)11-28-8-6-17-18(16-4-3-14(23)9-19(16)24)10-20(22(25)30)27-21(17)12-28/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3,(H2,25,30).
What are the key properties of 4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2,4-difluorophenyl)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.46, 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)-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).