N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid

C24H22F3N5O4S — CID 67012243

IUPACN-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(Nc1cc2cccnc2c(N2CCNCC2)n1)c1cccc2ccccc12
InChIInChI=1S/C22H21N5O2S.C2HF3O2/c28-30(29,19-9-3-6-16-5-1-2-8-18(16)19)26-20-15-17-7-4-10-24-21(17)22(25-20)27-13-11-23-12-14-27;3-2(4,5)1(6)7/h1-10,15,23H,11-14H2,(H,25,26);(H,6,7)
InChIKeyYYWVRNBPZDCEHL-UHFFFAOYSA-N
MW533.53 g/mol
LogP3.63
Rot. Bonds4

About N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid

N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 67012243) has the molecular formula C24H22F3N5O4S and a molecular weight of 533.53 g/mol. Its IUPAC name is N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID67012243
Molecular FormulaC24H22F3N5O4S
Molecular Weight533.53 g/mol
Exact Mass533.13
IUPAC NameN-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(Nc1cc2cccnc2c(N2CCNCC2)n1)c1cccc2ccccc12
InChIInChI=1S/C22H21N5O2S.C2HF3O2/c28-30(29,19-9-3-6-16-5-1-2-8-18(16)19)26-20-15-17-7-4-10-24-21(17)22(25-20)27-13-11-23-12-14-27;3-2(4,5)1(6)7/h1-10,15,23H,11-14H2,(H,25,26);(H,6,7)
InChIKeyYYWVRNBPZDCEHL-UHFFFAOYSA-N
XLogP3.63
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.53
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 67012243) is N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(Nc1cc2cccnc2c(N2CCNCC2)n1)c1cccc2ccccc12.
What is the InChIKey of N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is YYWVRNBPZDCEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C2HF3O2/c28-30(29,19-9-3-6-16-5-1-2-8-18(16)19)26-20-15-17-7-4-10-24-21(17)22(25-20)27-13-11-23-12-14-27;3-2(4,5)1(6)7/h1-10,15,23H,11-14H2,(H,25,26);(H,6,7).
What are the key properties of N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 533.53 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67012243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).