3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C20H25N5O3 — CID 56942219

IUPAC3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc2[nH]nc(-c3cnn(CC4CCOCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C20H25N5O3/c1-6-21-20(28-16-4-9-27-10-5-16)18-17(1)23-24-19(18)15-11-22-25(13-15)12-14-2-7-26-8-3-14/h1,6,11,13-14,16H,2-5,7-10,12H2,(H,23,24)
InChIKeyPOPBBIJKTHNGSX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.81
Rot. Bonds5

About 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56942219) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID56942219
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc2[nH]nc(-c3cnn(CC4CCOCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C20H25N5O3/c1-6-21-20(28-16-4-9-27-10-5-16)18-17(1)23-24-19(18)15-11-22-25(13-15)12-14-2-7-26-8-3-14/h1,6,11,13-14,16H,2-5,7-10,12H2,(H,23,24)
InChIKeyPOPBBIJKTHNGSX-UHFFFAOYSA-N
XLogP2.81
TPSA87.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 56942219) is 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is c1cc2[nH]nc(-c3cnn(CC4CCOCC4)c3)c2c(OC2CCOCC2)n1.
What is the InChIKey of 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is POPBBIJKTHNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-6-21-20(28-16-4-9-27-10-5-16)18-17(1)23-24-19(18)15-11-22-25(13-15)12-14-2-7-26-8-3-14/h1,6,11,13-14,16H,2-5,7-10,12H2,(H,23,24).
What are the key properties of 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 383.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56942219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).