2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone

C23H21ClN8O — CID 162476987

IUPAC2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1)N1CCCCC1
InChIInChI=1S/C23H21ClN8O/c24-18-10-16(20-6-7-26-31(20)14-22(33)30-8-2-1-3-9-30)11-21-23(18)28-29-32(21)17-5-4-15-13-25-27-19(15)12-17/h4-7,10-13H,1-3,8-9,14H2,(H,25,27)
InChIKeySPWRGNFRXMJLRQ-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.83
Rot. Bonds4

About 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone

2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 162476987) has the molecular formula C23H21ClN8O and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID162476987
Molecular FormulaC23H21ClN8O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1)N1CCCCC1
InChIInChI=1S/C23H21ClN8O/c24-18-10-16(20-6-7-26-31(20)14-22(33)30-8-2-1-3-9-30)11-21-23(18)28-29-32(21)17-5-4-15-13-25-27-19(15)12-17/h4-7,10-13H,1-3,8-9,14H2,(H,25,27)
InChIKeySPWRGNFRXMJLRQ-UHFFFAOYSA-N
XLogP3.83
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 146433474
4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
CID 162477073
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
CID 146433539
5-[4-chloro-6-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]benzotriazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 162477075
4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477006
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
1-[7-chloro-3-[1-(oxan-2-yl)indazol-6-yl]benzotriazol-5-yl]ethanone
CID 162477218
1-(1H-indazol-6-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine
CID 20690484
4-[[5-[3-amino-1-(1H-indazol-6-yl)-4-oxidopyrazolo[4,3-b]pyridin-4-ium-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477126
5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine
CID 146433323
5-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146433351
4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzonitrile
CID 162477000

Frequently Asked Questions

What is the IUPAC name of 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone (CID 162476987) is 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1)N1CCCCC1.
What is the InChIKey of 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is SPWRGNFRXMJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O/c24-18-10-16(20-6-7-26-31(20)14-22(33)30-8-2-1-3-9-30)11-21-23(18)28-29-32(21)17-5-4-15-13-25-27-19(15)12-17/h4-7,10-13H,1-3,8-9,14H2,(H,25,27).
What are the key properties of 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone?
2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 460.93 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 162476987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).