[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

C25H26N6O2 — CID 167764537

IUPAC[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1[nH]nc2ncc(C(=O)N3CCCC3C3CCN(C(=O)c4cc5ccccc5[nH]4)C3)cc12
InChIInChI=1S/C25H26N6O2/c1-15-19-11-18(13-26-23(19)29-28-15)24(32)31-9-4-7-22(31)17-8-10-30(14-17)25(33)21-12-16-5-2-3-6-20(16)27-21/h2-3,5-6,11-13,17,22,27H,4,7-10,14H2,1H3,(H,26,28,29)
InChIKeyFTYUMLKRPFYQCJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.51
Rot. Bonds3

About [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 167764537) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID167764537
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1[nH]nc2ncc(C(=O)N3CCCC3C3CCN(C(=O)c4cc5ccccc5[nH]4)C3)cc12
InChIInChI=1S/C25H26N6O2/c1-15-19-11-18(13-26-23(19)29-28-15)24(32)31-9-4-7-22(31)17-8-10-30(14-17)25(33)21-12-16-5-2-3-6-20(16)27-21/h2-3,5-6,11-13,17,22,27H,4,7-10,14H2,1H3,(H,26,28,29)
InChIKeyFTYUMLKRPFYQCJ-UHFFFAOYSA-N
XLogP3.51
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (CID 167764537) is [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is Cc1[nH]nc2ncc(C(=O)N3CCCC3C3CCN(C(=O)c4cc5ccccc5[nH]4)C3)cc12.
What is the InChIKey of [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is FTYUMLKRPFYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-15-19-11-18(13-26-23(19)29-28-15)24(32)31-9-4-7-22(31)17-8-10-30(14-17)25(33)21-12-16-5-2-3-6-20(16)27-21/h2-3,5-6,11-13,17,22,27H,4,7-10,14H2,1H3,(H,26,28,29).
What are the key properties of [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 442.52 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 167764537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).