1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

C26H28N4O2 — CID 55556179

IUPAC1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1cccc(N2CC(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)CC2=O)c1
InChIInChI=1S/C26H28N4O2/c1-17(2)19-5-3-6-21(13-19)30-16-20(14-24(30)31)26(32)29-11-8-18(9-12-29)23-15-28-25-22(23)7-4-10-27-25/h3-8,10,13,15,17,20H,9,11-12,14,16H2,1-2H3,(H,27,28)
InChIKeyVYZQBLKLCHXWFV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.36
Rot. Bonds4

About 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (PubChem CID 55556179) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
PubChem CID55556179
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1cccc(N2CC(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)CC2=O)c1
InChIInChI=1S/C26H28N4O2/c1-17(2)19-5-3-6-21(13-19)30-16-20(14-24(30)31)26(32)29-11-8-18(9-12-29)23-15-28-25-22(23)7-4-10-27-25/h3-8,10,13,15,17,20H,9,11-12,14,16H2,1-2H3,(H,27,28)
InChIKeyVYZQBLKLCHXWFV-UHFFFAOYSA-N
XLogP4.36
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

cyclopropyl-[(3S)-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]methanone
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(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (CID 55556179) is 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is CC(C)c1cccc(N2CC(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)CC2=O)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VYZQBLKLCHXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17(2)19-5-3-6-21(13-19)30-16-20(14-24(30)31)26(32)29-11-8-18(9-12-29)23-15-28-25-22(23)7-4-10-27-25/h3-8,10,13,15,17,20H,9,11-12,14,16H2,1-2H3,(H,27,28).
What are the key properties of 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 428.54 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 55556179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).