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

C20H19F2N5O — CID 118911171

IUPAC4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCn1nccc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C20H19F2N5O/c1-26-13(4-6-24-26)10-27-7-5-15-16(14-3-2-12(21)8-17(14)22)9-18(20(23)28)25-19(15)11-27/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,23,28)
InChIKeyVXZLUCBTLBBJCW-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.42
Rot. Bonds4

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

4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911171) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911171
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCn1nccc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C20H19F2N5O/c1-26-13(4-6-24-26)10-27-7-5-15-16(14-3-2-12(21)8-17(14)22)9-18(20(23)28)25-19(15)11-27/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,23,28)
InChIKeyVXZLUCBTLBBJCW-UHFFFAOYSA-N
XLogP2.42
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.42
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-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911171) is 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is Cn1nccc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1.
What is the InChIKey of 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is VXZLUCBTLBBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c1-26-13(4-6-24-26)10-27-7-5-15-16(14-3-2-12(21)8-17(14)22)9-18(20(23)28)25-19(15)11-27/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,23,28).
What are the key properties of 4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2,4-difluorophenyl)-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.42, 4 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-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).