6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide

C21H27N3O — CID 123634526

IUPAC6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc2c(c1)CN(Cc1ccccc1)C2C(C)C
InChIInChI=1S/C21H27N3O/c1-14(2)20-19-18(10-17(11-22-19)21(25)23-15(3)4)13-24(20)12-16-8-6-5-7-9-16/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25)
InChIKeyIHYSSNWBNWDJIP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.93
Rot. Bonds5

About 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide

6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide (PubChem CID 123634526) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
PubChem CID123634526
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc2c(c1)CN(Cc1ccccc1)C2C(C)C
InChIInChI=1S/C21H27N3O/c1-14(2)20-19-18(10-17(11-22-19)21(25)23-15(3)4)13-24(20)12-16-8-6-5-7-9-16/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25)
InChIKeyIHYSSNWBNWDJIP-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 3-[[(6-benzyl-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]methyl]azetidine-1-carboxylate
CID 123710183
(7S)-N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282368
methyl 7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
CID 123781013
(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282377
(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282380
methyl 3-[[[(7S)-6-[[4-(fluoromethyl)phenyl]methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 144897859
N-[(3-methylsulfonylphenyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 129035027
methyl 3-[[[7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 129035042
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 123801217
(7S)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282345
tert-butyl 3-[2-[[7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]ethyl]azetidine-1-carboxylate
CID 123922216
(7S)-N-[(5-ethynyl-2-pyridinyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118894323

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide (CID 123634526) is 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide is CC(C)NC(=O)c1cnc2c(c1)CN(Cc1ccccc1)C2C(C)C.
What is the InChIKey of 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is IHYSSNWBNWDJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14(2)20-19-18(10-17(11-22-19)21(25)23-15(3)4)13-24(20)12-16-8-6-5-7-9-16/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25).
What are the key properties of 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide?
6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 123634526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).