5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole

C22H25N5 — CID 142593838

IUPAC5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
SMILESCC(C)c1c(-c2ccc3n[nH]nc3c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N5/c1-13(2)21-17-11-15(14-7-9-23-10-8-14)3-5-18(17)24-22(21)16-4-6-19-20(12-16)26-27-25-19/h3-6,11-14,23-24H,7-10H2,1-2H3,(H,25,26,27)
InChIKeyWTYODVPOFHTPHB-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.70
Rot. Bonds3

About 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole

5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole (PubChem CID 142593838) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole.

Molecular Properties

Compound Name5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
PubChem CID142593838
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
SMILESCC(C)c1c(-c2ccc3n[nH]nc3c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N5/c1-13(2)21-17-11-15(14-7-9-23-10-8-14)3-5-18(17)24-22(21)16-4-6-19-20(12-16)26-27-25-19/h3-6,11-14,23-24H,7-10H2,1-2H3,(H,25,26,27)
InChIKeyWTYODVPOFHTPHB-UHFFFAOYSA-N
XLogP4.70
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
CID 142594476
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 142594027
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 137463938
6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142594847
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
CID 164553568

Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole?
The IUPAC name of 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole (CID 142593838) is 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole.
What is the SMILES notation for 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole?
The canonical SMILES for 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole is CC(C)c1c(-c2ccc3n[nH]nc3c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole?
The InChIKey is WTYODVPOFHTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-13(2)21-17-11-15(14-7-9-23-10-8-14)3-5-18(17)24-22(21)16-4-6-19-20(12-16)26-27-25-19/h3-6,11-14,23-24H,7-10H2,1-2H3,(H,25,26,27).
What are the key properties of 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole?
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole has a molecular weight of 359.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole is sourced from PubChem (CID 142593838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).