5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole

C22H25N7O — CID 90400705

IUPAC5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(n5cnnc5)CC4)c3)c2c1
InChIInChI=1S/C22H25N7O/c1-15(2)30-18-3-4-20-19(12-18)22(27-26-20)16-5-8-23-21(11-16)28-9-6-17(7-10-28)29-13-24-25-14-29/h3-5,8,11-15,17H,6-7,9-10H2,1-2H3,(H,26,27)
InChIKeyJISLCSZPVIZUET-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.85
Rot. Bonds5

About 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole

5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole (PubChem CID 90400705) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole
PubChem CID90400705
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(n5cnnc5)CC4)c3)c2c1
InChIInChI=1S/C22H25N7O/c1-15(2)30-18-3-4-20-19(12-18)22(27-26-20)16-5-8-23-21(11-16)28-9-6-17(7-10-28)29-13-24-25-14-29/h3-5,8,11-15,17H,6-7,9-10H2,1-2H3,(H,26,27)
InChIKeyJISLCSZPVIZUET-UHFFFAOYSA-N
XLogP3.85
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole 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 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole?
The IUPAC name of 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole (CID 90400705) is 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole?
The canonical SMILES for 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(n5cnnc5)CC4)c3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole?
The InChIKey is JISLCSZPVIZUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15(2)30-18-3-4-20-19(12-18)22(27-26-20)16-5-8-23-21(11-16)28-9-6-17(7-10-28)29-13-24-25-14-29/h3-5,8,11-15,17H,6-7,9-10H2,1-2H3,(H,26,27).
What are the key properties of 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole?
5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole has a molecular weight of 403.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 90400705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).