2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

C27H19F3N8 — CID 167367036

IUPAC2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1cccc(-c2nnn(Cc3ccccc3)c2-c2ccc3ncc(-c4cn[nH]c4C(F)(F)F)cc3n2)n1
InChIInChI=1S/C27H19F3N8/c1-16-6-5-9-21(33-16)24-25(38(37-35-24)15-17-7-3-2-4-8-17)22-11-10-20-23(34-22)12-18(13-31-20)19-14-32-36-26(19)27(28,29)30/h2-14H,15H2,1H3,(H,32,36)
InChIKeyGXKMDAPRQFOICZ-UHFFFAOYSA-N
MW512.50 g/mol
LogP5.72
Rot. Bonds5

About 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 167367036) has the molecular formula C27H19F3N8 and a molecular weight of 512.50 g/mol. Its IUPAC name is 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
PubChem CID167367036
Molecular FormulaC27H19F3N8
Molecular Weight512.50 g/mol
Exact Mass512.17
IUPAC Name2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1cccc(-c2nnn(Cc3ccccc3)c2-c2ccc3ncc(-c4cn[nH]c4C(F)(F)F)cc3n2)n1
InChIInChI=1S/C27H19F3N8/c1-16-6-5-9-21(33-16)24-25(38(37-35-24)15-17-7-3-2-4-8-17)22-11-10-20-23(34-22)12-18(13-31-20)19-14-32-36-26(19)27(28,29)30/h2-14H,15H2,1H3,(H,32,36)
InChIKeyGXKMDAPRQFOICZ-UHFFFAOYSA-N
XLogP5.72
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
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(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
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N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
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Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (CID 167367036) is 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is Cc1cccc(-c2nnn(Cc3ccccc3)c2-c2ccc3ncc(-c4cn[nH]c4C(F)(F)F)cc3n2)n1.
What is the InChIKey of 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is GXKMDAPRQFOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N8/c1-16-6-5-9-21(33-16)24-25(38(37-35-24)15-17-7-3-2-4-8-17)22-11-10-20-23(34-22)12-18(13-31-20)19-14-32-36-26(19)27(28,29)30/h2-14H,15H2,1H3,(H,32,36).
What are the key properties of 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 512.50 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-(6-methyl-2-pyridinyl)triazol-4-yl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 167367036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).