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

C22H21N5 — CID 118657115

IUPAC3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole
SMILESc1ccc2c(-c3ccnc(N4CCC(c5ccncc5)CC4)c3)n[nH]c2c1
InChIInChI=1S/C22H21N5/c1-2-4-20-19(3-1)22(26-25-20)18-7-12-24-21(15-18)27-13-8-17(9-14-27)16-5-10-23-11-6-16/h1-7,10-12,15,17H,8-9,13-14H2,(H,25,26)
InChIKeyPCBLKIKEJXTLRU-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.40
Rot. Bonds3

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

3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole (PubChem CID 118657115) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole
PubChem CID118657115
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole
SMILESc1ccc2c(-c3ccnc(N4CCC(c5ccncc5)CC4)c3)n[nH]c2c1
InChIInChI=1S/C22H21N5/c1-2-4-20-19(3-1)22(26-25-20)18-7-12-24-21(15-18)27-13-8-17(9-14-27)16-5-10-23-11-6-16/h1-7,10-12,15,17H,8-9,13-14H2,(H,25,26)
InChIKeyPCBLKIKEJXTLRU-UHFFFAOYSA-N
XLogP4.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole?
The IUPAC name of 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole (CID 118657115) is 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole?
The canonical SMILES for 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole is c1ccc2c(-c3ccnc(N4CCC(c5ccncc5)CC4)c3)n[nH]c2c1.
What is the InChIKey of 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole?
The InChIKey is PCBLKIKEJXTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-4-20-19(3-1)22(26-25-20)18-7-12-24-21(15-18)27-13-8-17(9-14-27)16-5-10-23-11-6-16/h1-7,10-12,15,17H,8-9,13-14H2,(H,25,26).
What are the key properties of 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole?
3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole has a molecular weight of 355.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 118657115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).