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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Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
Vlx-600
CID 6410104
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365
Pyrazolo[1,5-b]pyridazine deriv. 57
CID 6539399

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).