1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone

C40H48N8O2 — CID 158087881

IUPAC1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone
SMILESCNc1nc(C)c(C)c2c1CN(C(=O)CC1CC1c1cccnc1)C2.CNc1nc(C)c(C)c2c1CN(C(=O)CC1CC1c1cccnc1)C2
InChIInChI=1S/2C20H24N4O/c2*1-12-13(2)23-20(21-3)18-11-24(10-17(12)18)19(25)8-15-7-16(15)14-5-4-6-22-9-14/h2*4-6,9,15-16H,7-8,10-11H2,1-3H3,(H,21,23)
InChIKeyFNSUANWBIYHVEL-UHFFFAOYSA-N
MW672.88 g/mol
LogP6.34
Rot. Bonds8

About 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone

1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone (PubChem CID 158087881) has the molecular formula C40H48N8O2 and a molecular weight of 672.88 g/mol. Its IUPAC name is 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone
PubChem CID158087881
Molecular FormulaC40H48N8O2
Molecular Weight672.88 g/mol
Exact Mass672.39
IUPAC Name1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone
SMILESCNc1nc(C)c(C)c2c1CN(C(=O)CC1CC1c1cccnc1)C2.CNc1nc(C)c(C)c2c1CN(C(=O)CC1CC1c1cccnc1)C2
InChIInChI=1S/2C20H24N4O/c2*1-12-13(2)23-20(21-3)18-11-24(10-17(12)18)19(25)8-15-7-16(15)14-5-4-6-22-9-14/h2*4-6,9,15-16H,7-8,10-11H2,1-3H3,(H,21,23)
InChIKeyFNSUANWBIYHVEL-UHFFFAOYSA-N
XLogP6.34
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone with MolForge

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Related Compounds

(1-pyridin-3-ylazetidin-3-yl) 6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 137367799
1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 151827766
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide
CID 138035324
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
methyl 2-(2-pyridin-3-ylcycloheptyl)acetate
CID 82244502
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
CID 140830560
3-(5-bromo-2-ethylcyclohexyl)pyridine
CID 165498132

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone?
The IUPAC name of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone (CID 158087881) is 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone.
What is the SMILES notation for 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone?
The canonical SMILES for 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone is CNc1nc(C)c(C)c2c1CN(C(=O)CC1CC1c1cccnc1)C2.CNc1nc(C)c(C)c2c1CN(C(=O)CC1CC1c1cccnc1)C2.
What is the InChIKey of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone?
The InChIKey is FNSUANWBIYHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24N4O/c2*1-12-13(2)23-20(21-3)18-11-24(10-17(12)18)19(25)8-15-7-16(15)14-5-4-6-22-9-14/h2*4-6,9,15-16H,7-8,10-11H2,1-3H3,(H,21,23).
What are the key properties of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone?
1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone has a molecular weight of 672.88 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone is sourced from PubChem (CID 158087881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).