1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine

C25H30N6 — CID 167016401

IUPAC1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine
SMILESCn1nc(C2CCN(c3ccc4c(c3)N=C(N3CCCCC3)C4)CC2)c2cccnc21
InChIInChI=1S/C25H30N6/c1-29-25-21(6-5-11-26-25)24(28-29)18-9-14-30(15-10-18)20-8-7-19-16-23(27-22(19)17-20)31-12-3-2-4-13-31/h5-8,11,17-18H,2-4,9-10,12-16H2,1H3
InChIKeyKYNREKACLCZEAN-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.42
Rot. Bonds2

About 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine

1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine (PubChem CID 167016401) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine
PubChem CID167016401
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine
SMILESCn1nc(C2CCN(c3ccc4c(c3)N=C(N3CCCCC3)C4)CC2)c2cccnc21
InChIInChI=1S/C25H30N6/c1-29-25-21(6-5-11-26-25)24(28-29)18-9-14-30(15-10-18)20-8-7-19-16-23(27-22(19)17-20)31-12-3-2-4-13-31/h5-8,11,17-18H,2-4,9-10,12-16H2,1H3
InChIKeyKYNREKACLCZEAN-UHFFFAOYSA-N
XLogP4.42
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine 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 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine (CID 167016401) is 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine is Cn1nc(C2CCN(c3ccc4c(c3)N=C(N3CCCCC3)C4)CC2)c2cccnc21.
What is the InChIKey of 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine?
The InChIKey is KYNREKACLCZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-29-25-21(6-5-11-26-25)24(28-29)18-9-14-30(15-10-18)20-8-7-19-16-23(27-22(19)17-20)31-12-3-2-4-13-31/h5-8,11,17-18H,2-4,9-10,12-16H2,1H3.
What are the key properties of 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine?
1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine has a molecular weight of 414.56 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(2-piperidin-1-yl-3H-indol-6-yl)piperidin-4-yl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 167016401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).