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

C21H21F3N6O — CID 118911218

IUPAC4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCc1cn(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)nc1C
InChIInChI=1S/C21H21F3N6O/c1-12-9-30(28-13(12)2)18-8-16(20(25)31)27-17-11-29(6-4-15(17)18)10-14-3-5-26-19(7-14)21(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H2,25,31)
InChIKeyVDYRHKGTXWJVOP-UHFFFAOYSA-N
MW430.43 g/mol
LogP2.96
Rot. Bonds4

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

4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911218) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911218
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCc1cn(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)nc1C
InChIInChI=1S/C21H21F3N6O/c1-12-9-30(28-13(12)2)18-8-16(20(25)31)27-17-11-29(6-4-15(17)18)10-14-3-5-26-19(7-14)21(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H2,25,31)
InChIKeyVDYRHKGTXWJVOP-UHFFFAOYSA-N
XLogP2.96
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911218) is 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is Cc1cn(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)nc1C.
What is the InChIKey of 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is VDYRHKGTXWJVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c1-12-9-30(28-13(12)2)18-8-16(20(25)31)27-17-11-29(6-4-15(17)18)10-14-3-5-26-19(7-14)21(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H2,25,31).
What are the key properties of 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrazol-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).