3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C29H33N9 — CID 137145040

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(CC1)C2=NC=CC3=C2C=C(N3)C4=C5C=C(C=NC5=NN4)C6=CN=CC(=C6)CN7CCCCC7
InChIInChI=1S/C29H33N9/c1-36-9-11-38(12-10-36)29-23-15-26(33-25(23)5-6-31-29)27-24-14-22(18-32-28(24)35-34-27)21-13-20(16-30-17-21)19-37-7-3-2-4-8-37/h5-6,13-18,33H,2-4,7-12,19H2,1H3,(H,32,34,35)
InChIKeyHGBXTUYWMQOBPU-UHFFFAOYSA-N
MW507.60 g/mol
LogP3.10
Rot. Bonds5

About 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137145040) has the molecular formula C29H33N9 and a molecular weight of 507.60 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137145040
Molecular FormulaC29H33N9
Molecular Weight507.60 g/mol
Exact Mass507.29
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(CC1)C2=NC=CC3=C2C=C(N3)C4=C5C=C(C=NC5=NN4)C6=CN=CC(=C6)CN7CCCCC7
InChIInChI=1S/C29H33N9/c1-36-9-11-38(12-10-36)29-23-15-26(33-25(23)5-6-31-29)27-24-14-22(18-32-28(24)35-34-27)21-13-20(16-30-17-21)19-37-7-3-2-4-8-37/h5-6,13-18,33H,2-4,7-12,19H2,1H3,(H,32,34,35)
InChIKeyHGBXTUYWMQOBPU-UHFFFAOYSA-N
XLogP3.10
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity769

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137145040) is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CN1CCN(CC1)C2=NC=CC3=C2C=C(N3)C4=C5C=C(C=NC5=NN4)C6=CN=CC(=C6)CN7CCCCC7.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HGBXTUYWMQOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9/c1-36-9-11-38(12-10-36)29-23-15-26(33-25(23)5-6-31-29)27-24-14-22(18-32-28(24)35-34-27)21-13-20(16-30-17-21)19-37-7-3-2-4-8-37/h5-6,13-18,33H,2-4,7-12,19H2,1H3,(H,32,34,35).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 507.60 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137145040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).