7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C24H27F3N8 — CID 90288959

IUPAC7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN(C)CC(F)(F)F)c4)cc3n2)c1
InChIInChI=1S/C24H27F3N8/c1-16(2)17-10-23(33-29-12-17)32-22-6-5-20-21(31-22)9-18(11-28-20)19-13-30-35(14-19)8-4-7-34(3)15-24(25,26)27/h5-6,9-14,16H,4,7-8,15H2,1-3H3,(H,31,32,33)
InChIKeyOWTZSLWWTVRHSK-UHFFFAOYSA-N
MW484.53 g/mol
LogP5.03
Rot. Bonds9

About 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288959) has the molecular formula C24H27F3N8 and a molecular weight of 484.53 g/mol. Its IUPAC name is 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288959
Molecular FormulaC24H27F3N8
Molecular Weight484.53 g/mol
Exact Mass484.23
IUPAC Name7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN(C)CC(F)(F)F)c4)cc3n2)c1
InChIInChI=1S/C24H27F3N8/c1-16(2)17-10-23(33-29-12-17)32-22-6-5-20-21(31-22)9-18(11-28-20)19-13-30-35(14-19)8-4-7-34(3)15-24(25,26)27/h5-6,9-14,16H,4,7-8,15H2,1-3H3,(H,31,32,33)
InChIKeyOWTZSLWWTVRHSK-UHFFFAOYSA-N
XLogP5.03
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288959) is 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN(C)CC(F)(F)F)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is OWTZSLWWTVRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8/c1-16(2)17-10-23(33-29-12-17)32-22-6-5-20-21(31-22)9-18(11-28-20)19-13-30-35(14-19)8-4-7-34(3)15-24(25,26)27/h5-6,9-14,16H,4,7-8,15H2,1-3H3,(H,31,32,33).
What are the key properties of 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 484.53 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).