N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine

C23H20F2N8O2 — CID 71559040

IUPACN-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(Cc2ncn[nH]2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C23H20F2N8O2/c1-32-10-14(9-29-32)13-6-16-15(26-8-13)4-5-20(30-16)33(11-19-27-12-28-31-19)23-21(24)17(34-2)7-18(35-3)22(23)25/h4-10,12H,11H2,1-3H3,(H,27,28,31)
InChIKeyYASHODHUWYIHDK-UHFFFAOYSA-N
MW478.46 g/mol
LogP3.78
Rot. Bonds7

About N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine

N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine (PubChem CID 71559040) has the molecular formula C23H20F2N8O2 and a molecular weight of 478.46 g/mol. Its IUPAC name is N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine
PubChem CID71559040
Molecular FormulaC23H20F2N8O2
Molecular Weight478.46 g/mol
Exact Mass478.17
IUPAC NameN-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(Cc2ncn[nH]2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C23H20F2N8O2/c1-32-10-14(9-29-32)13-6-16-15(26-8-13)4-5-20(30-16)33(11-19-27-12-28-31-19)23-21(24)17(34-2)7-18(35-3)22(23)25/h4-10,12H,11H2,1-3H3,(H,27,28,31)
InChIKeyYASHODHUWYIHDK-UHFFFAOYSA-N
XLogP3.78
TPSA106.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-methyl-4-(1-methylpyrazol-4-yl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 164621178
3-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766930
3,5-dimethoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766934
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 54767086
N-(3-methoxyphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390292
US10131667, Example 43
CID 72946371
US10131667, Example 51
CID 86705637
US10131667, Example 57
CID 90021320
N-methyl(5-(3-(5-(trifluoromethoxy)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methanamine
CID 135497834
1-[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine
CID 135497835
N-[[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 135497843

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine?
The IUPAC name of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine (CID 71559040) is N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine is COc1cc(OC)c(F)c(N(Cc2ncn[nH]2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F.
What is the InChIKey of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine?
The InChIKey is YASHODHUWYIHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N8O2/c1-32-10-14(9-29-32)13-6-16-15(26-8-13)4-5-20(30-16)33(11-19-27-12-28-31-19)23-21(24)17(34-2)7-18(35-3)22(23)25/h4-10,12H,11H2,1-3H3,(H,27,28,31).
What are the key properties of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine?
N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine has a molecular weight of 478.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 71559040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).