2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone

C19H27N5O — CID 167996931

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone
SMILESO=C(C1NNC2CCCCC21)N1CCC2CN(c3ccccn3)CC21
InChIInChI=1S/C19H27N5O/c25-19(18-14-5-1-2-6-15(14)21-22-18)24-10-8-13-11-23(12-16(13)24)17-7-3-4-9-20-17/h3-4,7,9,13-16,18,21-22H,1-2,5-6,8,10-12H2
InChIKeyRKODIOWOUCFKGB-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.15
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone

2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone (PubChem CID 167996931) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone
PubChem CID167996931
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone
SMILESO=C(C1NNC2CCCCC21)N1CCC2CN(c3ccccn3)CC21
InChIInChI=1S/C19H27N5O/c25-19(18-14-5-1-2-6-15(14)21-22-18)24-10-8-13-11-23(12-16(13)24)17-7-3-4-9-20-17/h3-4,7,9,13-16,18,21-22H,1-2,5-6,8,10-12H2
InChIKeyRKODIOWOUCFKGB-UHFFFAOYSA-N
XLogP1.15
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone with MolForge

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Related Compounds

2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 154583769
2-(4-chlorophenoxy)-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 154581755
1-[(3aS,6aS)-5-quinoxalin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone
CID 70759013
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493
cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
2-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)-1,3-benzothiazole
CID 154581266
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide
CID 124780493

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone (CID 167996931) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone is O=C(C1NNC2CCCCC21)N1CCC2CN(c3ccccn3)CC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone?
The InChIKey is RKODIOWOUCFKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-19(18-14-5-1-2-6-15(14)21-22-18)24-10-8-13-11-23(12-16(13)24)17-7-3-4-9-20-17/h3-4,7,9,13-16,18,21-22H,1-2,5-6,8,10-12H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl)methanone is sourced from PubChem (CID 167996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).