[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C19H25N5O2 — CID 172667729

IUPAC[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2ncnn2c1)N1C[C@H]2C[C@@H](N3CCCC3)[C@H](O)C[C@H]2C1
InChIInChI=1S/C19H25N5O2/c25-17-8-15-10-23(9-14(15)7-16(17)22-5-1-2-6-22)19(26)13-3-4-18-20-12-21-24(18)11-13/h3-4,11-12,14-17,25H,1-2,5-10H2/t14-,15+,16-,17-/m1/s1
InChIKeyROBJOUMKKGLWBD-YYIAUSFCSA-N
MW355.44 g/mol
LogP1.04
Rot. Bonds2

About [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 172667729) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID172667729
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2ncnn2c1)N1C[C@H]2C[C@@H](N3CCCC3)[C@H](O)C[C@H]2C1
InChIInChI=1S/C19H25N5O2/c25-17-8-15-10-23(9-14(15)7-16(17)22-5-1-2-6-22)19(26)13-3-4-18-20-12-21-24(18)11-13/h3-4,11-12,14-17,25H,1-2,5-10H2/t14-,15+,16-,17-/m1/s1
InChIKeyROBJOUMKKGLWBD-YYIAUSFCSA-N
XLogP1.04
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 172673483
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(4-hydroxyphenyl)phenyl]methanone
CID 172672484
formic acid;[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 171710004
[(3aR,5R,6R,7aS)-5-hydroxy-6-(4-methylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1-tert-butylpyrrol-3-yl)methanone
CID 172663796
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166616000
[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 167763997
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-chloro-2-fluorophenyl)methanone
CID 172669997
[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166291641
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methyl-2-phenylpropan-1-one
CID 172658717
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166620870
[(3aR,5R,6R,7aS)-5-hydroxy-6-(1,2,4-triazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-chloro-4-pyrrolidin-1-ylphenyl)methanone
CID 172671867
[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(5-methylfuran-2-yl)phenyl]methanone
CID 172673874

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 172667729) is [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is O=C(c1ccc2ncnn2c1)N1C[C@H]2C[C@@H](N3CCCC3)[C@H](O)C[C@H]2C1.
What is the InChIKey of [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is ROBJOUMKKGLWBD-YYIAUSFCSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-17-8-15-10-23(9-14(15)7-16(17)22-5-1-2-6-22)19(26)13-3-4-18-20-12-21-24(18)11-13/h3-4,11-12,14-17,25H,1-2,5-10H2/t14-,15+,16-,17-/m1/s1.
What are the key properties of [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 172667729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).