6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole

C27H26N4 — CID 135559068

IUPAC6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
SMILESc1ccc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)cc1
InChIInChI=1S/C27H26N4/c1-3-7-20(8-4-1)21-10-11-23-25(16-21)29-30-27(23)26-17-22-15-19(9-12-24(22)28-26)18-31-13-5-2-6-14-31/h1,3-4,7-12,15-17,28H,2,5-6,13-14,18H2,(H,29,30)
InChIKeyPRNXBLOZTIGXJB-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.36
Rot. Bonds4

About 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole

6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole (PubChem CID 135559068) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
PubChem CID135559068
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC Name6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
SMILESc1ccc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)cc1
InChIInChI=1S/C27H26N4/c1-3-7-20(8-4-1)21-10-11-23-25(16-21)29-30-27(23)26-17-22-15-19(9-12-24(22)28-26)18-31-13-5-2-6-14-31/h1,3-4,7-12,15-17,28H,2,5-6,13-14,18H2,(H,29,30)
InChIKeyPRNXBLOZTIGXJB-UHFFFAOYSA-N
XLogP6.36
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 135438541
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-1H-indazole-6-carbonitrile
CID 135525556
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
3-(1H-indol-2-yl)-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazole
CID 135418209
3-{5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl}-1H-indazole-6-carbonitrile
CID 135468068
3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carbonitrile
CID 135487516
3-{5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl}-6-(1H-tetraazol-5-yl)-1H-indazole
CID 135559054
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,2-thiazole
CID 135559062

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
The IUPAC name of 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole (CID 135559068) is 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole is c1ccc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)cc1.
What is the InChIKey of 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
The InChIKey is PRNXBLOZTIGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-3-7-20(8-4-1)21-10-11-23-25(16-21)29-30-27(23)26-17-22-15-19(9-12-24(22)28-26)18-31-13-5-2-6-14-31/h1,3-4,7-12,15-17,28H,2,5-6,13-14,18H2,(H,29,30).
What are the key properties of 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 406.53 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 135559068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).