6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide

C22H26N8O3S — CID 165172537

IUPAC6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide
SMILESCOC1=NN(C2CC2)c2cc3cnc(Nc4ccc(S(N)(=O)=O)cn4)nc3n2C12CCCCC2
InChIInChI=1S/C22H26N8O3S/c1-33-20-22(9-3-2-4-10-22)29-18(30(28-20)15-5-6-15)11-14-12-25-21(27-19(14)29)26-17-8-7-16(13-24-17)34(23,31)32/h7-8,11-13,15H,2-6,9-10H2,1H3,(H2,23,31,32)(H,24,25,26,27)
InChIKeyAADYRWHBQVXSOV-UHFFFAOYSA-N
MW482.57 g/mol
LogP2.82
Rot. Bonds4

About 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide

6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide (PubChem CID 165172537) has the molecular formula C22H26N8O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide
PubChem CID165172537
Molecular FormulaC22H26N8O3S
Molecular Weight482.57 g/mol
Exact Mass482.18
IUPAC Name6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide
SMILESCOC1=NN(C2CC2)c2cc3cnc(Nc4ccc(S(N)(=O)=O)cn4)nc3n2C12CCCCC2
InChIInChI=1S/C22H26N8O3S/c1-33-20-22(9-3-2-4-10-22)29-18(30(28-20)15-5-6-15)11-14-12-25-21(27-19(14)29)26-17-8-7-16(13-24-17)34(23,31)32/h7-8,11-13,15H,2-6,9-10H2,1H3,(H2,23,31,32)(H,24,25,26,27)
InChIKeyAADYRWHBQVXSOV-UHFFFAOYSA-N
XLogP2.82
TPSA140.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide (CID 165172537) is 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide is COC1=NN(C2CC2)c2cc3cnc(Nc4ccc(S(N)(=O)=O)cn4)nc3n2C12CCCCC2.
What is the InChIKey of 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide?
The InChIKey is AADYRWHBQVXSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3S/c1-33-20-22(9-3-2-4-10-22)29-18(30(28-20)15-5-6-15)11-14-12-25-21(27-19(14)29)26-17-8-7-16(13-24-17)34(23,31)32/h7-8,11-13,15H,2-6,9-10H2,1H3,(H2,23,31,32)(H,24,25,26,27).
What are the key properties of 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide?
6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide has a molecular weight of 482.57 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(10-cyclopropyl-12-methoxyspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 165172537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).