6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C22H22N6O2S — CID 42643599

IUPAC6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCCn1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cn1
InChIInChI=1S/C22H22N6O2S/c1-2-27-15-19(13-25-27)31(29,30)28-10-8-20-17(14-28)7-9-23-22(20)26-18-11-16-5-3-4-6-21(16)24-12-18/h3-7,9,11-13,15H,2,8,10,14H2,1H3,(H,23,26)
InChIKeyYGSOXPBEQPOFSE-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.34
Rot. Bonds5

About 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42643599) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42643599
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCCn1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cn1
InChIInChI=1S/C22H22N6O2S/c1-2-27-15-19(13-25-27)31(29,30)28-10-8-20-17(14-28)7-9-23-22(20)26-18-11-16-5-3-4-6-21(16)24-12-18/h3-7,9,11-13,15H,2,8,10,14H2,1H3,(H,23,26)
InChIKeyYGSOXPBEQPOFSE-UHFFFAOYSA-N
XLogP3.34
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42643599) is 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CCn1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is YGSOXPBEQPOFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-2-27-15-19(13-25-27)31(29,30)28-10-8-20-17(14-28)7-9-23-22(20)26-18-11-16-5-3-4-6-21(16)24-12-18/h3-7,9,11-13,15H,2,8,10,14H2,1H3,(H,23,26).
What are the key properties of 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 434.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42643599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).