1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol

C20H24N4O2 — CID 90400867

IUPAC1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(O)CC4)c3)c2c1
InChIInChI=1S/C20H24N4O2/c1-13(2)26-16-3-4-18-17(12-16)20(23-22-18)14-5-8-21-19(11-14)24-9-6-15(25)7-10-24/h3-5,8,11-13,15,25H,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyMKTVCCFMNJJWIZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.37
Rot. Bonds4

About 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol

1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 90400867) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID90400867
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(O)CC4)c3)c2c1
InChIInChI=1S/C20H24N4O2/c1-13(2)26-16-3-4-18-17(12-16)20(23-22-18)14-5-8-21-19(11-14)24-9-6-15(25)7-10-24/h3-5,8,11-13,15,25H,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyMKTVCCFMNJJWIZ-UHFFFAOYSA-N
XLogP3.37
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol (CID 90400867) is 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(O)CC4)c3)c2c1.
What is the InChIKey of 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is MKTVCCFMNJJWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)26-16-3-4-18-17(12-16)20(23-22-18)14-5-8-21-19(11-14)24-9-6-15(25)7-10-24/h3-5,8,11-13,15,25H,6-7,9-10H2,1-2H3,(H,22,23).
What are the key properties of 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol?
1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 352.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 90400867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).