1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C25H19Br2ClF3N5O3 — CID 59022564

IUPAC1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1cc2cc(Br)ccc2c(Br)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C25H19Br2ClF3N5O3/c1-12(11-39-2)33-23(37)16-9-13-8-14(26)5-6-15(13)20(27)21(16)34-24(38)18-10-19(25(29,30)31)35-36(18)22-17(28)4-3-7-32-22/h3-10,12H,11H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyYMWODFLGXBWLNB-UHFFFAOYSA-N
MW689.71 g/mol
LogP6.63
Rot. Bonds7

About 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59022564) has the molecular formula C25H19Br2ClF3N5O3 and a molecular weight of 689.71 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID59022564
Molecular FormulaC25H19Br2ClF3N5O3
Molecular Weight689.71 g/mol
Exact Mass686.95
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1cc2cc(Br)ccc2c(Br)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C25H19Br2ClF3N5O3/c1-12(11-39-2)33-23(37)16-9-13-8-14(26)5-6-15(13)20(27)21(16)34-24(38)18-10-19(25(29,30)31)35-36(18)22-17(28)4-3-7-32-22/h3-10,12H,11H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyYMWODFLGXBWLNB-UHFFFAOYSA-N
XLogP6.63
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.71
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59022564) is 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is COCC(C)NC(=O)c1cc2cc(Br)ccc2c(Br)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YMWODFLGXBWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Br2ClF3N5O3/c1-12(11-39-2)33-23(37)16-9-13-8-14(26)5-6-15(13)20(27)21(16)34-24(38)18-10-19(25(29,30)31)35-36(18)22-17(28)4-3-7-32-22/h3-10,12H,11H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 689.71 g/mol, XLogP of 6.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[1,6-dibromo-3-(1-methoxypropan-2-ylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59022564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).