N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide

C23H26N4O3 — CID 163382322

IUPACN-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
SMILESCC(C)(O)C(C1CC1)N1Cc2nccc(NC(=O)c3ccnc4c3CCC4)c2C1=O
InChIInChI=1S/C23H26N4O3/c1-23(2,30)20(13-6-7-13)27-12-18-19(22(27)29)17(9-11-25-18)26-21(28)15-8-10-24-16-5-3-4-14(15)16/h8-11,13,20,30H,3-7,12H2,1-2H3,(H,25,26,28)
InChIKeyQYAPMBOZJUPPES-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.72
Rot. Bonds5

About N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide

N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide (PubChem CID 163382322) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
PubChem CID163382322
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
SMILESCC(C)(O)C(C1CC1)N1Cc2nccc(NC(=O)c3ccnc4c3CCC4)c2C1=O
InChIInChI=1S/C23H26N4O3/c1-23(2,30)20(13-6-7-13)27-12-18-19(22(27)29)17(9-11-25-18)26-21(28)15-8-10-24-16-5-3-4-14(15)16/h8-11,13,20,30H,3-7,12H2,1-2H3,(H,25,26,28)
InChIKeyQYAPMBOZJUPPES-UHFFFAOYSA-N
XLogP2.72
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The IUPAC name of N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide (CID 163382322) is N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide is CC(C)(O)C(C1CC1)N1Cc2nccc(NC(=O)c3ccnc4c3CCC4)c2C1=O.
What is the InChIKey of N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The InChIKey is QYAPMBOZJUPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2,30)20(13-6-7-13)27-12-18-19(22(27)29)17(9-11-25-18)26-21(28)15-8-10-24-16-5-3-4-14(15)16/h8-11,13,20,30H,3-7,12H2,1-2H3,(H,25,26,28).
What are the key properties of N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide is sourced from PubChem (CID 163382322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).