5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol

C23H26N6O2 — CID 162390605

IUPAC5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol
SMILESCOc1cc(-c2ccc(-c3ncc(NC4CC5CNC(C)C5C4)nn3)c(O)c2)ccn1
InChIInChI=1S/C23H26N6O2/c1-13-19-10-17(7-16(19)11-25-13)27-21-12-26-23(29-28-21)18-4-3-14(8-20(18)30)15-5-6-24-22(9-15)31-2/h3-6,8-9,12-13,16-17,19,25,30H,7,10-11H2,1-2H3,(H,27,28)
InChIKeyTWJAYVQHNXCUBJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.11
Rot. Bonds5

About 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol

5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol (PubChem CID 162390605) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol
PubChem CID162390605
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol
SMILESCOc1cc(-c2ccc(-c3ncc(NC4CC5CNC(C)C5C4)nn3)c(O)c2)ccn1
InChIInChI=1S/C23H26N6O2/c1-13-19-10-17(7-16(19)11-25-13)27-21-12-26-23(29-28-21)18-4-3-14(8-20(18)30)15-5-6-24-22(9-15)31-2/h3-6,8-9,12-13,16-17,19,25,30H,7,10-11H2,1-2H3,(H,27,28)
InChIKeyTWJAYVQHNXCUBJ-UHFFFAOYSA-N
XLogP3.11
TPSA105.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[[(1S,2S,3R)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy]-1,2,4-triazin-3-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 166580134
2-[6-[1-[(1S,2R,3S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]ethenyl]-1,2,4-triazin-3-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 166580069
2-[6-[[(1S,2S,3R,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy]-1,2,4-triazin-3-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 166579878
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol
CID 155772572
2-[3-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 162777934
5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626071
2-[6-[[(1R,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-(2-fluoro-6-methoxy-4-pyridinyl)phenol
CID 174033576
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol;hydrochloride
CID 139536714
2-[8-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 168845887
5-(2-methoxy-4-pyridinyl)-2-[5-[[(1R,3S)-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,3,4-thiadiazol-2-yl]phenol
CID 167369190
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 139536652
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol (CID 162390605) is 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol is COc1cc(-c2ccc(-c3ncc(NC4CC5CNC(C)C5C4)nn3)c(O)c2)ccn1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol?
The InChIKey is TWJAYVQHNXCUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-13-19-10-17(7-16(19)11-25-13)27-21-12-26-23(29-28-21)18-4-3-14(8-20(18)30)15-5-6-24-22(9-15)31-2/h3-6,8-9,12-13,16-17,19,25,30H,7,10-11H2,1-2H3,(H,27,28).
What are the key properties of 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol?
5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol has a molecular weight of 418.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol is sourced from PubChem (CID 162390605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).