1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol

C22H21N5O — CID 85473220

IUPAC1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol
SMILESOC1(c2ccccn2)CCN(c2cc(-c3n[nH]c4ccccc34)ccn2)CC1
InChIInChI=1S/C22H21N5O/c28-22(19-7-3-4-11-23-19)9-13-27(14-10-22)20-15-16(8-12-24-20)21-17-5-1-2-6-18(17)25-26-21/h1-8,11-12,15,28H,9-10,13-14H2,(H,25,26)
InChIKeyNSYCPXNPSXBFOZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.51
Rot. Bonds3

About 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol

1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol (PubChem CID 85473220) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol
PubChem CID85473220
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol
SMILESOC1(c2ccccn2)CCN(c2cc(-c3n[nH]c4ccccc34)ccn2)CC1
InChIInChI=1S/C22H21N5O/c28-22(19-7-3-4-11-23-19)9-13-27(14-10-22)20-15-16(8-12-24-20)21-17-5-1-2-6-18(17)25-26-21/h1-8,11-12,15,28H,9-10,13-14H2,(H,25,26)
InChIKeyNSYCPXNPSXBFOZ-UHFFFAOYSA-N
XLogP3.51
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-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-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol?
The IUPAC name of 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol (CID 85473220) is 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol?
The canonical SMILES for 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol is OC1(c2ccccn2)CCN(c2cc(-c3n[nH]c4ccccc34)ccn2)CC1.
What is the InChIKey of 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol?
The InChIKey is NSYCPXNPSXBFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(19-7-3-4-11-23-19)9-13-27(14-10-22)20-15-16(8-12-24-20)21-17-5-1-2-6-18(17)25-26-21/h1-8,11-12,15,28H,9-10,13-14H2,(H,25,26).
What are the key properties of 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol?
1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol has a molecular weight of 371.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol is sourced from PubChem (CID 85473220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).