N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium

C19H14F3N5V — CID 160764125

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium
SMILESCc1cc(Nc2cc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1.[V]
InChIInChI=1S/C19H14F3N5.V/c1-11-8-18(27-26-11)25-16-9-15(24-17-10-23-7-6-13(16)17)12-4-2-3-5-14(12)19(20,21)22;/h2-10H,1H3,(H2,24,25,26,27);
InChIKeyKSPVZMRBSBCAAA-UHFFFAOYSA-N
MW420.29 g/mol
LogP5.09
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium

N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium (PubChem CID 160764125) has the molecular formula C19H14F3N5V and a molecular weight of 420.29 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium
PubChem CID160764125
Molecular FormulaC19H14F3N5V
Molecular Weight420.29 g/mol
Exact Mass420.06
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium
SMILESCc1cc(Nc2cc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1.[V]
InChIInChI=1S/C19H14F3N5.V/c1-11-8-18(27-26-11)25-16-9-15(24-17-10-23-7-6-13(16)17)12-4-2-3-5-14(12)19(20,21)22;/h2-10H,1H3,(H2,24,25,26,27);
InChIKeyKSPVZMRBSBCAAA-UHFFFAOYSA-N
XLogP5.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.29
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 11955437
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10222301
N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10294507
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine;vanadium
CID 159535152
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 123636824
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
2-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 154274920
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
3-methyl-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 70796358
3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium
CID 159527409
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 135390680

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium (CID 160764125) is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium is Cc1cc(Nc2cc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1.[V].
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium?
The InChIKey is KSPVZMRBSBCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5.V/c1-11-8-18(27-26-11)25-16-9-15(24-17-10-23-7-6-13(16)17)12-4-2-3-5-14(12)19(20,21)22;/h2-10H,1H3,(H2,24,25,26,27);.
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium?
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium has a molecular weight of 420.29 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium is sourced from PubChem (CID 160764125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).