3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C22H27N5O2 — CID 66829175

IUPAC3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC1CCCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)C1
InChIInChI=1S/C22H27N5O2/c1-15-3-2-10-27(14-15)19-13-16(4-8-23-19)21-20-18(25-26-21)5-9-24-22(20)29-17-6-11-28-12-7-17/h4-5,8-9,13,15,17H,2-3,6-7,10-12,14H2,1H3,(H,25,26)
InChIKeyOQXUATNGMFCOAY-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.81
Rot. Bonds4

About 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66829175) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66829175
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC1CCCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)C1
InChIInChI=1S/C22H27N5O2/c1-15-3-2-10-27(14-15)19-13-16(4-8-23-19)21-20-18(25-26-21)5-9-24-22(20)29-17-6-11-28-12-7-17/h4-5,8-9,13,15,17H,2-3,6-7,10-12,14H2,1H3,(H,25,26)
InChIKeyOQXUATNGMFCOAY-UHFFFAOYSA-N
XLogP3.81
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66829175) is 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is CC1CCCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)C1.
What is the InChIKey of 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is OQXUATNGMFCOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-3-2-10-27(14-15)19-13-16(4-8-23-19)21-20-18(25-26-21)5-9-24-22(20)29-17-6-11-28-12-7-17/h4-5,8-9,13,15,17H,2-3,6-7,10-12,14H2,1H3,(H,25,26).
What are the key properties of 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 393.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66829175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).