N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide

C20H25N7O4S — CID 134523256

IUPACN-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC)c3cnc(C)cn3)n2C2CC2)n1
InChIInChI=1S/C20H25N7O4S/c1-12-10-22-16(11-21-12)18(31-4)13(2)32(28,29)26-20-25-24-19(27(20)14-8-9-14)15-6-5-7-17(23-15)30-3/h5-7,10-11,13-14,18H,8-9H2,1-4H3,(H,25,26)
InChIKeyRQIYHKOMLIFZMJ-UHFFFAOYSA-N
MW459.53 g/mol
LogP2.30
Rot. Bonds9

About N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide

N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide (PubChem CID 134523256) has the molecular formula C20H25N7O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide
PubChem CID134523256
Molecular FormulaC20H25N7O4S
Molecular Weight459.53 g/mol
Exact Mass459.17
IUPAC NameN-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC)c3cnc(C)cn3)n2C2CC2)n1
InChIInChI=1S/C20H25N7O4S/c1-12-10-22-16(11-21-12)18(31-4)13(2)32(28,29)26-20-25-24-19(27(20)14-8-9-14)15-6-5-7-17(23-15)30-3/h5-7,10-11,13-14,18H,8-9H2,1-4H3,(H,25,26)
InChIKeyRQIYHKOMLIFZMJ-UHFFFAOYSA-N
XLogP2.30
TPSA134.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 122701154
1-(5-chloropyrimidin-2-yl)-N-[4-cyclohexyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
CID 134522560
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-(2,2,3,3-tetradeuteriocyclopropyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 142354062
(1S,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-ethoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide
CID 122702552
(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-ethoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide
CID 122702460
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134523260
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(2R)-spiro[2.2]pentan-2-yl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134522680
1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(2S)-spiro[2.2]pentan-2-yl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134523653
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[(2R,6S)-2,6-dimethoxycyclohexyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
CID 134523706
(1R,2S)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 122702201
(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide
CID 134542747
(2S,3R)-3-(5-chloropyrimidin-2-yl)-N-[5-(6-methoxy-2-pyridinyl)-4-[(2R)-spiro[2.2]pentan-2-yl]-1,2,4-triazol-3-yl]butane-2-sulfonamide
CID 134523312

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide?
The IUPAC name of N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide (CID 134523256) is N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC)c3cnc(C)cn3)n2C2CC2)n1.
What is the InChIKey of N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide?
The InChIKey is RQIYHKOMLIFZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4S/c1-12-10-22-16(11-21-12)18(31-4)13(2)32(28,29)26-20-25-24-19(27(20)14-8-9-14)15-6-5-7-17(23-15)30-3/h5-7,10-11,13-14,18H,8-9H2,1-4H3,(H,25,26).
What are the key properties of N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide?
N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide has a molecular weight of 459.53 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 134523256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).