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

C21H21F2N5O — CID 155925951

IUPAC(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESC[C@@H]1c2nc(C(N)=O)cc(-c3ccc(F)cc3F)c2CCN1Cc1ccnn1C
InChIInChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1
InChIKeyJPQHCBORHNWOOF-GFCCVEGCSA-N
MW397.43 g/mol
LogP2.98
Rot. Bonds4

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

(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 155925951) has the molecular formula C21H21F2N5O and a molecular weight of 397.43 g/mol. Its IUPAC name is (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID155925951
Molecular FormulaC21H21F2N5O
Molecular Weight397.43 g/mol
Exact Mass397.17
IUPAC Name(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESC[C@@H]1c2nc(C(N)=O)cc(-c3ccc(F)cc3F)c2CCN1Cc1ccnn1C
InChIInChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1
InChIKeyJPQHCBORHNWOOF-GFCCVEGCSA-N
XLogP2.98
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
CID 155557232
CID 155557232
(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 127041542

Frequently Asked Questions

What is the IUPAC name of (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 155925951) is (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is C[C@@H]1c2nc(C(N)=O)cc(-c3ccc(F)cc3F)c2CCN1Cc1ccnn1C.
What is the InChIKey of (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is JPQHCBORHNWOOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1.
What are the key properties of (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 155925951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).