[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

C19H21N5O2 — CID 157018139

IUPAC[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
SMILESCn1cccc1-c1nnc2ccc(C(=O)N3[C@@H]4CC[C@H]3CC(O)C4)cn12
InChIInChI=1S/C19H21N5O2/c1-22-8-2-3-16(22)18-21-20-17-7-4-12(11-23(17)18)19(26)24-13-5-6-14(24)10-15(25)9-13/h2-4,7-8,11,13-15,25H,5-6,9-10H2,1H3/t13-,14+,15?
InChIKeyRHXTVLHAFHMIFX-YIONKMFJSA-N
MW351.41 g/mol
LogP1.86
Rot. Bonds2

About [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (PubChem CID 157018139) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
PubChem CID157018139
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
SMILESCn1cccc1-c1nnc2ccc(C(=O)N3[C@@H]4CC[C@H]3CC(O)C4)cn12
InChIInChI=1S/C19H21N5O2/c1-22-8-2-3-16(22)18-21-20-17-7-4-12(11-23(17)18)19(26)24-13-5-6-14(24)10-15(25)9-13/h2-4,7-8,11,13-15,25H,5-6,9-10H2,1H3/t13-,14+,15?
InChIKeyRHXTVLHAFHMIFX-YIONKMFJSA-N
XLogP1.86
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone with MolForge

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Related Compounds

[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 162628007
[(2S,3R)-2,3-dimethyl-4-methylsulfonylpiperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 169420570
[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 164698862
[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 156585181
5-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157017032
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585731
3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157019171
4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
CID 55243953
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 63764476
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
CID 55237037
(4-bromo-3-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 112705964
(3-chloro-4-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55241627

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The IUPAC name of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (CID 157018139) is [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The canonical SMILES for [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is Cn1cccc1-c1nnc2ccc(C(=O)N3[C@@H]4CC[C@H]3CC(O)C4)cn12.
What is the InChIKey of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The InChIKey is RHXTVLHAFHMIFX-YIONKMFJSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22-8-2-3-16(22)18-21-20-17-7-4-12(11-23(17)18)19(26)24-13-5-6-14(24)10-15(25)9-13/h2-4,7-8,11,13-15,25H,5-6,9-10H2,1H3/t13-,14+,15?.
What are the key properties of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is sourced from PubChem (CID 157018139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).