N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C26H35N7O4S — CID 167579565

IUPACN-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
SMILESCc1cc(C)c(Oc2nc(-c3cnn(CC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2nccnc2N)c(C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N7O4S.3H2/c1-15(2)13-33-14-19(12-30-33)21-7-6-20(24(34)32-38(35,36)26-23(27)28-8-9-29-26)25(31-21)37-22-17(4)10-16(3)11-18(22)5;;;/h6-12,14-15H,13H2,1-5H3,(H2,27,28)(H,32,34);3*1H
InChIKeyGZOSBHLBCFEGMG-UHFFFAOYSA-N
MW541.68 g/mol
LogP4.55
Rot. Bonds8

About N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 167579565) has the molecular formula C26H35N7O4S and a molecular weight of 541.68 g/mol. Its IUPAC name is N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
PubChem CID167579565
Molecular FormulaC26H35N7O4S
Molecular Weight541.68 g/mol
Exact Mass541.25
IUPAC NameN-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
SMILESCc1cc(C)c(Oc2nc(-c3cnn(CC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2nccnc2N)c(C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N7O4S.3H2/c1-15(2)13-33-14-19(12-30-33)21-7-6-20(24(34)32-38(35,36)26-23(27)28-8-9-29-26)25(31-21)37-22-17(4)10-16(3)11-18(22)5;;;/h6-12,14-15H,13H2,1-5H3,(H2,27,28)(H,32,34);3*1H
InChIKeyGZOSBHLBCFEGMG-UHFFFAOYSA-N
XLogP4.55
TPSA154.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.68
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 167579565) is N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is Cc1cc(C)c(Oc2nc(-c3cnn(CC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2nccnc2N)c(C)c1.[H][H].[H][H].[H][H].
What is the InChIKey of N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is GZOSBHLBCFEGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S.3H2/c1-15(2)13-33-14-19(12-30-33)21-7-6-20(24(34)32-38(35,36)26-23(27)28-8-9-29-26)25(31-21)37-22-17(4)10-16(3)11-18(22)5;;;/h6-12,14-15H,13H2,1-5H3,(H2,27,28)(H,32,34);3*1H.
What are the key properties of N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 541.68 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopyrazin-2-yl)sulfonyl-6-[1-(2-methylpropyl)pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167579565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).