5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone

C18H24N4O — CID 129190718

IUPAC5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CC=C([C@@H]2CCCN2C(=O)N2Cc3cccnc3C2)CC1
InChIInChI=1S/C18H24N4O/c1-20-10-6-14(7-11-20)17-5-3-9-22(17)18(23)21-12-15-4-2-8-19-16(15)13-21/h2,4,6,8,17H,3,5,7,9-13H2,1H3/t17-/m0/s1
InChIKeyJPOGHEXYQBIKTM-KRWDZBQOSA-N
MW312.42 g/mol
LogP2.24
Rot. Bonds1

About 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 129190718) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID129190718
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CC=C([C@@H]2CCCN2C(=O)N2Cc3cccnc3C2)CC1
InChIInChI=1S/C18H24N4O/c1-20-10-6-14(7-11-20)17-5-3-9-22(17)18(23)21-12-15-4-2-8-19-16(15)13-21/h2,4,6,8,17H,3,5,7,9-13H2,1H3/t17-/m0/s1
InChIKeyJPOGHEXYQBIKTM-KRWDZBQOSA-N
XLogP2.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 9956013
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CID 11744188
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CID 57405394
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CID 5064844
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CID 11842228
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CID 778625
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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone (CID 129190718) is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone is CN1CC=C([C@@H]2CCCN2C(=O)N2Cc3cccnc3C2)CC1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JPOGHEXYQBIKTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-20-10-6-14(7-11-20)17-5-3-9-22(17)18(23)21-12-15-4-2-8-19-16(15)13-21/h2,4,6,8,17H,3,5,7,9-13H2,1H3/t17-/m0/s1.
What are the key properties of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone?
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 312.42 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129190718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).