6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine

C24H24F3N7O2S — CID 155477797

IUPAC6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
SMILESCCS(=O)(=O)n1cc(C2CC2C(Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)C(F)(F)F)cn1
InChIInChI=1S/C24H24F3N7O2S/c1-3-37(35,36)34-12-15(9-31-34)16-8-17(16)22(24(25,26)27)33-21-7-14-6-20(18-10-29-5-4-13(18)2)32-23(28)19(14)11-30-21/h4-7,9-12,16-17,22H,3,8H2,1-2H3,(H2,28,32)(H,30,33)
InChIKeyHHNDPJOSMJVDNJ-UHFFFAOYSA-N
MW531.56 g/mol
LogP4.12
Rot. Bonds7

About 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine

6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine (PubChem CID 155477797) has the molecular formula C24H24F3N7O2S and a molecular weight of 531.56 g/mol. Its IUPAC name is 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
PubChem CID155477797
Molecular FormulaC24H24F3N7O2S
Molecular Weight531.56 g/mol
Exact Mass531.17
IUPAC Name6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
SMILESCCS(=O)(=O)n1cc(C2CC2C(Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)C(F)(F)F)cn1
InChIInChI=1S/C24H24F3N7O2S/c1-3-37(35,36)34-12-15(9-31-34)16-8-17(16)22(24(25,26)27)33-21-7-14-6-20(18-10-29-5-4-13(18)2)32-23(28)19(14)11-30-21/h4-7,9-12,16-17,22H,3,8H2,1-2H3,(H2,28,32)(H,30,33)
InChIKeyHHNDPJOSMJVDNJ-UHFFFAOYSA-N
XLogP4.12
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine (CID 155477797) is 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine is CCS(=O)(=O)n1cc(C2CC2C(Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)C(F)(F)F)cn1.
What is the InChIKey of 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is HHNDPJOSMJVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2S/c1-3-37(35,36)34-12-15(9-31-34)16-8-17(16)22(24(25,26)27)33-21-7-14-6-20(18-10-29-5-4-13(18)2)32-23(28)19(14)11-30-21/h4-7,9-12,16-17,22H,3,8H2,1-2H3,(H2,28,32)(H,30,33).
What are the key properties of 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 531.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-[2-(1-ethylsulfonylpyrazol-4-yl)cyclopropyl]-2,2,2-trifluoroethyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 155477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).