2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine

C24H26N6OS — CID 150383930

IUPAC2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine
SMILESCOc1cc(-c2ccc3c(c2Cc2nc(Sc4ccn(C(C)C)n4)n[nH]2)CCC3)ccn1
InChIInChI=1S/C24H26N6OS/c1-15(2)30-12-10-23(29-30)32-24-26-21(27-28-24)14-20-18-6-4-5-16(18)7-8-19(20)17-9-11-25-22(13-17)31-3/h7-13,15H,4-6,14H2,1-3H3,(H,26,27,28)
InChIKeyHAHPKAMCTCIMKB-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.88
Rot. Bonds7

About 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine

2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine (PubChem CID 150383930) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine
PubChem CID150383930
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine
SMILESCOc1cc(-c2ccc3c(c2Cc2nc(Sc4ccn(C(C)C)n4)n[nH]2)CCC3)ccn1
InChIInChI=1S/C24H26N6OS/c1-15(2)30-12-10-23(29-30)32-24-26-21(27-28-24)14-20-18-6-4-5-16(18)7-8-19(20)17-9-11-25-22(13-17)31-3/h7-13,15H,4-6,14H2,1-3H3,(H,26,27,28)
InChIKeyHAHPKAMCTCIMKB-UHFFFAOYSA-N
XLogP4.88
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 153357072
N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 155744646
N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158332853
1-(1-cyclobutylpyrazol-3-yl)sulfanyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 142529183
[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]methylidenethiourea
CID 153357045
1-[7-chloro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfinylurea
CID 142529171
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393
ethyl N'-carbamothioyl-N-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamimidothioate
CID 150985488
3-(azetidin-3-ylsulfonyl)-1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-1-propan-2-ylurea
CID 155613838
N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 153119315
2-[(3S)-1-[[3-[[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]propan-2-ol
CID 157054177
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine?
The IUPAC name of 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine (CID 150383930) is 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine.
What is the SMILES notation for 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine?
The canonical SMILES for 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine is COc1cc(-c2ccc3c(c2Cc2nc(Sc4ccn(C(C)C)n4)n[nH]2)CCC3)ccn1.
What is the InChIKey of 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine?
The InChIKey is HAHPKAMCTCIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-15(2)30-12-10-23(29-30)32-24-26-21(27-28-24)14-20-18-6-4-5-16(18)7-8-19(20)17-9-11-25-22(13-17)31-3/h7-13,15H,4-6,14H2,1-3H3,(H,26,27,28).
What are the key properties of 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine?
2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine has a molecular weight of 446.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-[[3-(1-propan-2-ylpyrazol-3-yl)sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydro-1H-inden-5-yl]pyridine is sourced from PubChem (CID 150383930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).