Skip to content

N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

C24H32N10O4S — CID 153436277

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC(C)C)c3ncc(C)cn3)n2[C@@H](C)c2ncn(C)n2)n1
InChIInChI=1S/C24H32N10O4S/c1-14(2)38-20(22-25-11-15(3)12-26-22)17(5)39(35,36)32-24-30-29-23(18-9-8-10-19(28-18)37-7)34(24)16(4)21-27-13-33(6)31-21/h8-14,16-17,20H,1-7H3,(H,30,32)/t16-,17?,20?/m0/s1
InChIKeyMERZDPTWNLEXCF-VXESANQCSA-N
MW556.65 g/mol
LogP2.48
Rot. Bonds11

About N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 153436277) has the molecular formula C24H32N10O4S and a molecular weight of 556.65 g/mol. Its IUPAC name is N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
PubChem CID153436277
Molecular FormulaC24H32N10O4S
Molecular Weight556.65 g/mol
Exact Mass556.23
IUPAC NameN-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC(C)C)c3ncc(C)cn3)n2[C@@H](C)c2ncn(C)n2)n1
InChIInChI=1S/C24H32N10O4S/c1-14(2)38-20(22-25-11-15(3)12-26-22)17(5)39(35,36)32-24-30-29-23(18-9-8-10-19(28-18)37-7)34(24)16(4)21-27-13-33(6)31-21/h8-14,16-17,20H,1-7H3,(H,30,32)/t16-,17?,20?/m0/s1
InChIKeyMERZDPTWNLEXCF-VXESANQCSA-N
XLogP2.48
TPSA164.72 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The IUPAC name of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (CID 153436277) is N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.
What is the SMILES notation for N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The canonical SMILES for N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)C(C)C(OC(C)C)c3ncc(C)cn3)n2[C@@H](C)c2ncn(C)n2)n1.
What is the InChIKey of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The InChIKey is MERZDPTWNLEXCF-VXESANQCSA-N. The full InChI is InChI=1S/C24H32N10O4S/c1-14(2)38-20(22-25-11-15(3)12-26-22)17(5)39(35,36)32-24-30-29-23(18-9-8-10-19(28-18)37-7)34(24)16(4)21-27-13-33(6)31-21/h8-14,16-17,20H,1-7H3,(H,30,32)/t16-,17?,20?/m0/s1.
What are the key properties of N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 556.65 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxy-2-pyridinyl)-4-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 153436277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.