3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine

C18H20N6 — CID 130251559

IUPAC3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine
SMILESCC(C)c1cc2c(CC(C)c3cc4nc[nH]c4cn3)[nH]nc2cn1
InChIInChI=1S/C18H20N6/c1-10(2)13-5-12-15(23-24-17(12)7-19-13)4-11(3)14-6-16-18(8-20-14)22-9-21-16/h5-11H,4H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXTHFNDGCQOWHSY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.70
Rot. Bonds4

About 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine

3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine (PubChem CID 130251559) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine
PubChem CID130251559
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine
SMILESCC(C)c1cc2c(CC(C)c3cc4nc[nH]c4cn3)[nH]nc2cn1
InChIInChI=1S/C18H20N6/c1-10(2)13-5-12-15(23-24-17(12)7-19-13)4-11(3)14-6-16-18(8-20-14)22-9-21-16/h5-11H,4H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXTHFNDGCQOWHSY-UHFFFAOYSA-N
XLogP3.70
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine (CID 130251559) is 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine is CC(C)c1cc2c(CC(C)c3cc4nc[nH]c4cn3)[nH]nc2cn1.
What is the InChIKey of 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is XTHFNDGCQOWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-10(2)13-5-12-15(23-24-17(12)7-19-13)4-11(3)14-6-16-18(8-20-14)22-9-21-16/h5-11H,4H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine?
3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 320.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 130251559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).