N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide

C23H20N4O2 — CID 176620042

IUPACN-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccccc1[C@H]1NC(=O)c2nccc(NC(=O)N3CCc4ccccc43)c21
InChIInChI=1S/C23H20N4O2/c1-14-6-2-4-8-16(14)20-19-17(10-12-24-21(19)22(28)26-20)25-23(29)27-13-11-15-7-3-5-9-18(15)27/h2-10,12,20H,11,13H2,1H3,(H,26,28)(H,24,25,29)/t20-/m1/s1
InChIKeyDTONXQZMDRGTJA-HXUWFJFHSA-N
MW384.44 g/mol
LogP3.82
Rot. Bonds2

About N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide

N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 176620042) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID176620042
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccccc1[C@H]1NC(=O)c2nccc(NC(=O)N3CCc4ccccc43)c21
InChIInChI=1S/C23H20N4O2/c1-14-6-2-4-8-16(14)20-19-17(10-12-24-21(19)22(28)26-20)25-23(29)27-13-11-15-7-3-5-9-18(15)27/h2-10,12,20H,11,13H2,1H3,(H,26,28)(H,24,25,29)/t20-/m1/s1
InChIKeyDTONXQZMDRGTJA-HXUWFJFHSA-N
XLogP3.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide (CID 176620042) is N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide is Cc1ccccc1[C@H]1NC(=O)c2nccc(NC(=O)N3CCc4ccccc43)c21.
What is the InChIKey of N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is DTONXQZMDRGTJA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-6-2-4-8-16(14)20-19-17(10-12-24-21(19)22(28)26-20)25-23(29)27-13-11-15-7-3-5-9-18(15)27/h2-10,12,20H,11,13H2,1H3,(H,26,28)(H,24,25,29)/t20-/m1/s1.
What are the key properties of N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide?
N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 176620042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).