4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine

C21H17N9 — CID 129058326

IUPAC4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine
SMILESCc1nccc2ncn(Cc3nccc4c3cnn4Cc3cncc4[nH]ncc34)c12
InChIInChI=1S/C21H17N9/c1-13-21-17(2-4-23-13)25-12-29(21)11-19-16-8-27-30(20(16)3-5-24-19)10-14-6-22-9-18-15(14)7-26-28-18/h2-9,12H,10-11H2,1H3,(H,26,28)
InChIKeyNKRQYFAHGKPICO-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.85
Rot. Bonds4

About 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine

4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine (PubChem CID 129058326) has the molecular formula C21H17N9 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine
PubChem CID129058326
Molecular FormulaC21H17N9
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine
SMILESCc1nccc2ncn(Cc3nccc4c3cnn4Cc3cncc4[nH]ncc34)c12
InChIInChI=1S/C21H17N9/c1-13-21-17(2-4-23-13)25-12-29(21)11-19-16-8-27-30(20(16)3-5-24-19)10-14-6-22-9-18-15(14)7-26-28-18/h2-9,12H,10-11H2,1H3,(H,26,28)
InChIKeyNKRQYFAHGKPICO-UHFFFAOYSA-N
XLogP2.85
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine (CID 129058326) is 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine is Cc1nccc2ncn(Cc3nccc4c3cnn4Cc3cncc4[nH]ncc34)c12.
What is the InChIKey of 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is NKRQYFAHGKPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9/c1-13-21-17(2-4-23-13)25-12-29(21)11-19-16-8-27-30(20(16)3-5-24-19)10-14-6-22-9-18-15(14)7-26-28-18/h2-9,12H,10-11H2,1H3,(H,26,28).
What are the key properties of 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine?
4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 395.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 129058326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).