5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide

C26H23Cl2F3N8O3 — CID 58047693

IUPAC5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(Cl)cc(C(=O)NCC2CCCO2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C26H23Cl2F3N8O3/c1-14-8-15(27)9-19(24(41)33-12-17-4-3-7-42-17)18(14)11-22(40)21-10-16(13-38-36-25(34-37-38)26(29,30)31)35-39(21)23-20(28)5-2-6-32-23/h2,5-6,8-10,17H,3-4,7,11-13H2,1H3,(H,33,41)
InChIKeyBKZZRBXRLOWCCN-UHFFFAOYSA-N
MW623.42 g/mol
LogP4.27
Rot. Bonds9

About 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide

5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 58047693) has the molecular formula C26H23Cl2F3N8O3 and a molecular weight of 623.42 g/mol. Its IUPAC name is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID58047693
Molecular FormulaC26H23Cl2F3N8O3
Molecular Weight623.42 g/mol
Exact Mass622.12
IUPAC Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(Cl)cc(C(=O)NCC2CCCO2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C26H23Cl2F3N8O3/c1-14-8-15(27)9-19(24(41)33-12-17-4-3-7-42-17)18(14)11-22(40)21-10-16(13-38-36-25(34-37-38)26(29,30)31)35-39(21)23-20(28)5-2-6-32-23/h2,5-6,8-10,17H,3-4,7,11-13H2,1H3,(H,33,41)
InChIKeyBKZZRBXRLOWCCN-UHFFFAOYSA-N
XLogP4.27
TPSA129.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 58047693) is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(Cl)cc(C(=O)NCC2CCCO2)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BKZZRBXRLOWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2F3N8O3/c1-14-8-15(27)9-19(24(41)33-12-17-4-3-7-42-17)18(14)11-22(40)21-10-16(13-38-36-25(34-37-38)26(29,30)31)35-39(21)23-20(28)5-2-6-32-23/h2,5-6,8-10,17H,3-4,7,11-13H2,1H3,(H,33,41).
What are the key properties of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 623.42 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 58047693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).